vasopressin, (1-beta-mercapto-beta,beta-diethylpropionic acid-4-Leu)-8-Lys-

N-[6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[7-(2-amino-2-oxoethyl)-13-benzyl-20,20-diethyl-16-[(4-hydroxyphenyl)methyl]-10-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide

Also Known As: Sid 768777|(1-beta-Mercapto-beta,beta-diethylpropionic acid-4-leu)-8-lys-vasopressin|(1-beta-Mercapto-beta,beta-diethylpropionic acid-4-leucyl)-8-lysine vasopressin|Vasopressin, (1-beta-mercapto-beta,beta-diethylpropionic acid-4-leu)-8-lys-|Vasopressin, (1-beta-mercapto-beta,beta-diethylpropionic acid-4-leucyl)-8-lysine-|1-{[7-(2-amino-2-oxoethyl)-13-benzyl-20,20-diethyl-16-(4-hydroxybenzyl)-10-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}prolyllysylglycinamide|N-[6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[7-(2-amino-2-oxoethyl)-13-benzyl-20,20-diethyl-16-[(4-hydroxyphenyl)methyl]-10-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide|Vasopressin, 1-(3-ethyl-3-mercaptopentanoic acid)-4-L-leucine-8-L-lysine-|N-[6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[7-(2-amino-2-oxoethyl)-13-benzyl-20,20-diethyl-16-[(4-hydroxyphenyl)methyl]-10-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxa

Molecular Formula	C51H75N11O11S2
Molecular Weight	1081.5089 g/mol
LogP	1.1
Topological Polar Surface Area	407.0 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	14
Rotatable Bonds	20
Exact Mass	1081.5089
Monoisotopic Mass	1081.5089
Heavy Atoms	75
Complexity	1970.0

Chemical Identifiers

CAS Number	60176-19-4
SMILES	CCC1(CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSS1)C(=O)N2CCCC2C(=O)NC(CCCCN)C(=O)NCC(=O)N)CC(=O)N)CC(C)C)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)CC
InChIKey	JCUIHOLNKQGSQM-UHFFFAOYSA-N