vasopressin, 9-Ala-NH(2)-Lys-

1-[19-amino-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]-N-[6-amino-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide

Also Known As: 9-Alaninamide-lysine vasopressin|9-Ala-NH(2)-lys-vasopressin|Vasopressin, 9-ala-NH(2)-lys-|Vasopressin, 9-alaninamide-lysine-|KST-1B1065|Vasopressin, 8-L-lysine-9-D-alaninamide-, (T-4)-|Vasopressin,8-L-lysine-9-D-alaninamide- (8CI,9CI)|1-[19-amino-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]-N-[6-amino-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide|1-{[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}prolyllysylalaninamide

Molecular Formula	C47H67N13O12S2
Molecular Weight	1069.4474 g/mol
LogP	-3.5
Topological Polar Surface Area	476.0 Ų
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	16
Rotatable Bonds	19
Exact Mass	1069.4474
Monoisotopic Mass	1069.4474
Heavy Atoms	74
Complexity	1990.0

Chemical Identifiers

CAS Number	17879-35-5
SMILES	CC(C(=O)N)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C2CSSCC(C(=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)N
InChIKey	KEXFJVLUVBJIMD-UHFFFAOYSA-N