(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-4-amino-1-[[(2R)-1-[(2S)-2-[[(Z,2S)-1,5-diamino-1-oxopent-3-en-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide

Base Information

• Chemical Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-4-amino-1-[[(2R)-1-[(2S)-2-[[(Z,2S)-1,5-diamino-1-oxopent-3-en-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide
• CAS No.: 113846-97-2
• Molecular Formula: C47H66 N14 O12 S2
• Molecular Weight: 1083.24
• Mol file: 113846-97-2.mol

Synonyms:2-Gly-des-Gly-2-Phe-8-Orn-vasopressin;2-glycyl-9-desglycyl-2-phenylalanyl-8-ornithine vasopressin;2G-DS-P-OVP;vasopressin, 2-Gly-9-des-Gly-2-Phe-8-Orn-;vasopressin, 2-glycyl-9-desglycyl-2-phenylalanyl-8-ornithine-

Chemical Property of (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-4-amino-1-[[(2R)-1-[(2S)-2-[[(Z,2S)-1,5-diamino-1-oxopent-3-en-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1642.7°C at 760 mmHg
• Flash Point: 947.3°C
• PSA: 542.91000
• Density: 1.364g/cm³
• LogP: 5.44200
• XLogP3: -4.6
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 31
• Exact Mass: 1082.44260594
• Heavy Atom Count: 75
• Complexity: 2060

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(N(C1)C(=O)C(CS)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CS)NC(=O)CNC(=O)CN)C(=O)NC(C=CCN)C(=O)N
• Isomeric SMILES: C1C[C@H](N(C1)C(=O)[C@H](CS)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CS)NC(=O)CNC(=O)CN)C(=O)N[C@@H](/C=C\CN)C(=O)N