vasopressin, deamino-homo-Arg-

N-[1-[(2-amino-2-oxoethyl)amino]-6-(diaminomethylideneamino)-1-oxohexan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-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: Deamino-homoarginine vasopressin|Deamino-homo-arg-vasopressin|Vasopressin, deamino-homo-arg-|Vasopressin, deamino-homoarginine-|1-Deamino-8-homoarginine vasopressin|1-Deamino-8-D-homoarginine-vasopressin|Vasopressin, 1-(3-mercaptopropanoic acid)-8-(N(6)-(aminoiminomethyl)-L-lysine)-|N-[1-[(2-amino-2-oxoethyl)amino]-6-(diaminomethylideneamino)-1-oxohexan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide

Molecular Formula	C47H66N14O12S2
Molecular Weight	1082.4426 g/mol
LogP	-3.7
Topological Polar Surface Area	489.0 Ų
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	15
Rotatable Bonds	20
Exact Mass	1082.4426
Monoisotopic Mass	1082.4426
Heavy Atoms	75
Complexity	2050.0

Chemical Identifiers

CAS Number	52697-47-9
SMILES	C1CC(N(C1)C(=O)C2CSSCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)NC(CCCCN=C(N)N)C(=O)NCC(=O)N
InChIKey	XOHWHKUGGYXGEB-UHFFFAOYSA-N