Argipressin, asp(5)-

2-[(4R,7S,10S,13S,16S,19R)-19-amino-4-[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-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-pentazacycloicos-7-yl]acetic acid

Also Known As: 5-Asp-argipressin|Argipressin, asp(5)-|A-5-Avp|Asp5-AVP|Asp(5)-AVP|Arginine vasopressin, asp(5)-|Argipressin, aspartic acid(5)-|Vasopressin, 5-L-aspartic acid-8-L-arginine-|2-[(4R,7S,10S,13S,16S,19R)-19-amino-4-[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-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-pentazacycloicos-7-yl]acetic acid

Molecular Formula	C46H64N14O13S2
Molecular Weight	1084.4219 g/mol
LogP	-6.5
Topological Polar Surface Area	509.0 Ų
Hydrogen Bond Donors	14
Hydrogen Bond Acceptors	17
Rotatable Bonds	19
Exact Mass	1084.4219
Monoisotopic Mass	1084.4219
Heavy Atoms	75
Complexity	2070.0

Chemical Identifiers

CAS Number	78031-79-5
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)O)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N
InChIKey	NAGLXTBVIDINFN-HXAPPMQUSA-N