![(3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide structure](/static/products/4029/402956-84-7.webp)
(3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
TL;DR: (3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (CAS 402956-84-7) is a chemical compound with molecular formula C37H56N10O6 and molecular weight 736.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
Also Known As: (3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide, (1S,3aR,6aS)-N-(1,2-Dioxo-1-{[(1S)-1-(pyridin-4-yl)ethyl]amino}hexan-3-yl)-2-{N-[5-(2H-tetrazol-5-yl)pentanoyl]-L-valyl-L-valyl}octahydrocyclopenta[c]pyrrole-1-carboxamide, Cyclopenta[c]pyrrole-1-carboxamide, N-[1-oxo-5-(1H-tetrazol-5-yl)pentyl]-L-valyl-L-valyloctahydro-N-[1-[oxo[[(1S)-1-(4-pyridinyl)ethyl]amino]acetyl]butyl]-, (1S,3aR,6aS)- (9CI)
| Molecular Formula | C37H56N10O6 |
|---|---|
| Molecular Weight | 736.44 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 19 |
| Exact Mass | 736.4384 |
| Heavy Atoms | 53 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 402956-84-7 |
|---|---|
| SMILES | CCCC(C(=O)C(=O)N[C@@H](C)C1=CC=NC=C1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CCCCC4=NNN=N4 |
| InChIKey | BKDGCMAGCCQTOD-VFQDYKJZSA-N |
Product Overview
(3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (CAS 402956-84-7), with molecular formula C37H56N10O6 and molecular weight 736.44 g/mol. IUPAC: (3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.
Chemical Property Profile of (3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
Property Insights of (3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
The XLogP value of 3.4 indicates that (3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 221.0 Ų indicates high polarity, suggesting (3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The CAS number of (3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is 402956-84-7.
What is the molecular formula of (3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The molecular formula of (3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is C37H56N10O6.
What is the molecular weight of (3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The molecular weight of (3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is 736.44 g/mol.
Where can I buy (3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
You can request a quote for (3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[5-(2H-tetrazol-5-yl)pentanoylamino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.