vasopressin, 1-beta-mercapto-beta,beta-diethylpropionic acid-8-Lys-

N-[6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-20,20-diethyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide

Also Known As: Sid 768700|1-beta-Mercapto-beta,beta-diethylpropionic acid-8-lys-vasopressin|1-beta-Mercapto-beta,beta-diethylpropionic acid-8-lysine vasopressin|Vasopressin, 1-beta-mercapto-beta,beta-diethylpropionic acid-8-lys-|Vasopressin, 1-beta-mercapto-beta,beta-diethylpropionic acid-8-lysine-|1-{[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-20,20-diethyl-16-(4-hydroxybenzyl)-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)-10-(3-amino-3-oxopropyl)-13-benzyl-20,20-diethyl-16-[(4-hydroxyphenyl)methyl]-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)-8-L-lysine-|N-[6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-20,20-diethyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-ca

Molecular Formula	C50H72N12O12S2
Molecular Weight	1096.4834 g/mol
LogP	-1.4
Topological Polar Surface Area	450.0 Ų
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	15
Rotatable Bonds	21
Exact Mass	1096.4834
Monoisotopic Mass	1096.4834
Heavy Atoms	76
Complexity	2040.0

Chemical Identifiers

CAS Number	54649-07-9
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)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)CC
InChIKey	STUAOFXMPPGKBZ-UHFFFAOYSA-N