H-DL-Pyr-Asn-Pro-DL-Asn-Arg-Phe-Ile-Gly-Leu-Met-NH2
TL;DR: H-DL-Pyr-Asn-Pro-DL-Asn-Arg-Phe-Ile-Gly-Leu-Met-NH2 (CAS 31671-56-4) is a chemical compound with molecular formula C52H82N16O13S and molecular weight 1170.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-1-[(2S)-4-amino-4-oxo-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoyl]pyrrolidine-2-carbonyl]amino]butanediamide
Also Known As: Phyllomedusin, 5-oxoprolyl-l-asparaginyl-l-prolylasparaginyl-n5-(diaminomethylidene)-l-ornithyl-l-phenylalanyl-l-isoleucylglycyl-l-leucyl-l-methioninamide, N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-1-[(2S)-4-amino-4-oxo-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoyl]pyrrolidine-2-carbonyl]amino]butanediamide
| Molecular Formula | C52H82N16O13S |
|---|---|
| Molecular Weight | 1170.60 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 501.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 35 |
| Exact Mass | 1170.5968 |
| Heavy Atoms | 82 |
| Complexity | 2320.0 |
Chemical Identifiers
| CAS Number | 31671-56-4 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C(CC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)N)NC(=O)C3CCC(=O)N3 |
| InChIKey | GGIXGYYACCFXOQ-SDSVEIOUSA-N |
Product Overview
H-DL-Pyr-Asn-Pro-DL-Asn-Arg-Phe-Ile-Gly-Leu-Met-NH2 (CAS 31671-56-4), with molecular formula C52H82N16O13S and molecular weight 1170.60 g/mol. IUPAC: N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-1-[(2S)-4-amino-4-oxo-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoyl]pyrrolidine-2-carbonyl]amino]butanediamide.
Chemical Property Profile of H-DL-Pyr-Asn-Pro-DL-Asn-Arg-Phe-Ile-Gly-Leu-Met-NH2
Property Insights of H-DL-Pyr-Asn-Pro-DL-Asn-Arg-Phe-Ile-Gly-Leu-Met-NH2
The XLogP value of -3.2 indicates that H-DL-Pyr-Asn-Pro-DL-Asn-Arg-Phe-Ile-Gly-Leu-Met-NH2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 501.0 Ų indicates high polarity, suggesting H-DL-Pyr-Asn-Pro-DL-Asn-Arg-Phe-Ile-Gly-Leu-Met-NH2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, H-DL-Pyr-Asn-Pro-DL-Asn-Arg-Phe-Ile-Gly-Leu-Met-NH2 has 14 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of H-DL-Pyr-Asn-Pro-DL-Asn-Arg-Phe-Ile-Gly-Leu-Met-NH2?
The CAS number of H-DL-Pyr-Asn-Pro-DL-Asn-Arg-Phe-Ile-Gly-Leu-Met-NH2 is 31671-56-4.
What is the molecular formula of H-DL-Pyr-Asn-Pro-DL-Asn-Arg-Phe-Ile-Gly-Leu-Met-NH2?
The molecular formula of H-DL-Pyr-Asn-Pro-DL-Asn-Arg-Phe-Ile-Gly-Leu-Met-NH2 is C52H82N16O13S.
What is the molecular weight of H-DL-Pyr-Asn-Pro-DL-Asn-Arg-Phe-Ile-Gly-Leu-Met-NH2?
The molecular weight of H-DL-Pyr-Asn-Pro-DL-Asn-Arg-Phe-Ile-Gly-Leu-Met-NH2 is 1170.60 g/mol.
Where can I buy H-DL-Pyr-Asn-Pro-DL-Asn-Arg-Phe-Ile-Gly-Leu-Met-NH2?
You can request a quote for H-DL-Pyr-Asn-Pro-DL-Asn-Arg-Phe-Ile-Gly-Leu-Met-NH2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for H-DL-Pyr-Asn-Pro-DL-Asn-Arg-Phe-Ile-Gly-Leu-Met-NH2?
Yes, KEHONG BIO provides custom synthesis services for H-DL-Pyr-Asn-Pro-DL-Asn-Arg-Phe-Ile-Gly-Leu-Met-NH2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.