Phenypressin

1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13,16-dibenzyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

Also Known As: Phenypressin|2-Phe-argipressin|Argipressin, phe(2)-|Arginine vasopressin, phe(2)-|Argipressin, phenylalanine(2)-|Vasopressin, 2-L-phenylalanine-8-L-arginine-|1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13,16-dibenzyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

Molecular Formula	C46H65N15O11S2
Molecular Weight	1067.443 g/mol
LogP	-5.1101
Topological Polar Surface Area	443.7 Ų
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	15
Rotatable Bonds	19
Exact Mass	1067.443
Monoisotopic Mass	1067.443
Heavy Atoms	74
Complexity	2364.8596

Chemical Identifiers

CAS Number	30635-27-9
SMILES	C1CC(N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=CC=C4)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N