Vasotocin, 1-(3-mercaptopropanoic acid)-8-arg-

N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-butan-2-yl-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: dAVT|8-Arg-1-(3-mercaptopropanoic acid)vasotocin|Vasotocin, 1-(3-mercaptopropanoic acid)-8-arg-|8-Arginine-1-(3-mercaptopropanoic acid)vasotocin|Vasotocin, 1-(3-mercaptopropanoic acid)-8-arginine|Oxytocin, 1-(3-mercaptopropanoic acid)-8-L-arginine-|N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-butan-2-yl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrro|N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-butan-2-yl-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	C43H66N14O12S2
Molecular Weight	1034.4426 g/mol
LogP	-4.5383
Topological Polar Surface Area	437.91 Ų
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	15
Rotatable Bonds	19
Exact Mass	1034.4426
Monoisotopic Mass	1034.4426
Heavy Atoms	71
Complexity	2129.9934

Chemical Identifiers

CAS Number	38679-66-2
SMILES	CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)C(=O)N3CCCC3C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N