argipressin, Val(4)-

(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

Also Known As: 4-Val-argipressin|VDAVP|[Val4]AVP|Argipressin, val(4)-|Argipressin, valine(4)-|Arginine vasopressin, val(4)-|GTPL2180|Vasopressin, 4-L-valine-8-D-arginine-|(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide|1-[(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-10-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]-L-prolyl-N~5~-(diaminomethylidene)-D-ornithylglycinamide

Molecular Formula	C46H66N14O11S2
Molecular Weight	1054.4476 g/mol
LogP	-2.7
Topological Polar Surface Area	471.0 Ų
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	15
Rotatable Bonds	17
Exact Mass	1054.4476
Monoisotopic Mass	1054.4476
Heavy Atoms	73
Complexity	1980.0

Chemical Identifiers

CAS Number	52049-52-2
SMILES	CC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC3=CC=C(C=C3)O)N)C(=O)N4CCC[C@H]4C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N
InChIKey	JITASQOSGITBPR-FMCGBTBPSA-N