N-tert-BOC-0-benzyl-Ser-Gly-Arg p-nitroanilide
TL;DR: N-tert-BOC-0-benzyl-Ser-Gly-Arg p-nitroanilide (CAS 77220-80-5) is a chemical compound with molecular formula C29H40N8O8 and molecular weight 628.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate
Also Known As: N-tert-BOC-0-benzyl-Ser-Gly-Arg p-nitroanilide, N-T-BOC-O-BENZYL-SER-GLY-ARGP-NITROANILIDE, tert-butyl N-[1-[[2-[[5-(diaminomethylideneamino)-1-(4-nitro, tert-Butyl ((4S,10S)-15-amino-15-imino-10-((4-nitrophenyl)carbamoyl)-5,8-dioxo-1-phenyl-2-oxa-6,9,14-triazapentadecan-4-yl)carbamate, tert-butyl N-[(1S)-1-(benzyloxymethyl)-2-[[2-[[(1S)-4-guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamate
| Molecular Formula | C29H40N8O8 |
|---|---|
| Molecular Weight | 628.30 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Exact Mass | 628.29694 |
| Heavy Atoms | 45 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 77220-80-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | VVLVMZUTZYDQNL-GOTSBHOMSA-N |
Product Overview
N-tert-BOC-0-benzyl-Ser-Gly-Arg p-nitroanilide (CAS 77220-80-5), with molecular formula C29H40N8O8 and molecular weight 628.30 g/mol. IUPAC: tert-butyl N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate.
Chemical Property Profile of N-tert-BOC-0-benzyl-Ser-Gly-Arg p-nitroanilide
Property Insights of N-tert-BOC-0-benzyl-Ser-Gly-Arg p-nitroanilide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-BOC-0-benzyl-Ser-Gly-Arg p-nitroanilide. The TPSA of 245.0 Ų indicates high polarity, suggesting N-tert-BOC-0-benzyl-Ser-Gly-Arg p-nitroanilide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-tert-BOC-0-benzyl-Ser-Gly-Arg p-nitroanilide has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-tert-BOC-0-benzyl-Ser-Gly-Arg p-nitroanilide?
The CAS number of N-tert-BOC-0-benzyl-Ser-Gly-Arg p-nitroanilide is 77220-80-5.
What is the molecular formula of N-tert-BOC-0-benzyl-Ser-Gly-Arg p-nitroanilide?
The molecular formula of N-tert-BOC-0-benzyl-Ser-Gly-Arg p-nitroanilide is C29H40N8O8.
What is the molecular weight of N-tert-BOC-0-benzyl-Ser-Gly-Arg p-nitroanilide?
The molecular weight of N-tert-BOC-0-benzyl-Ser-Gly-Arg p-nitroanilide is 628.30 g/mol.
Where can I buy N-tert-BOC-0-benzyl-Ser-Gly-Arg p-nitroanilide?
You can request a quote for N-tert-BOC-0-benzyl-Ser-Gly-Arg p-nitroanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-BOC-0-benzyl-Ser-Gly-Arg p-nitroanilide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-BOC-0-benzyl-Ser-Gly-Arg p-nitroanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.