N-[5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-ethoxyphenyl)methyl]-6,9,12,15,18-pentaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide

Base Information

• Chemical Name: N-[5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-ethoxyphenyl)methyl]-6,9,12,15,18-pentaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
• CAS No.: 131483-45-9
• Molecular Formula: C47H67 N11 O11 S2
• Molecular Weight: 1026.23
• Mol file: 131483-45-9.mol

Synonyms:1-deamino-2-(OEt-Tyr)-4-Val-8-Orn-vasotocin;1-desamino-2-(O-ethyltyrosyl)-4-valyl-8-ornithine-vasotocin;dE-VVT;vasotocin, 1-desamino-O-ethyltyrosyl(2)-valyl(4)-ornithine(8)-;vasotocin, 1-desamino-OEt-Tyr(2)-Val(4)-Orn(8)-

Chemical Property of N-[5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-ethoxyphenyl)methyl]-6,9,12,15,18-pentaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1469.8°Cat760mmHg
• PKA: 12.88±0.70(Predicted)
• Flash Point: 842.7°C
• PSA: 422.45000
• Density: 1.25g/cm³
• LogP: 4.42490
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 18
• Exact Mass: 1025.44629434
• Heavy Atom Count: 71
• Complexity: 1850

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)N2)C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(=O)N)CC(=O)N)C(C)C)CC4=CC=CC=C4