Arginine Vasotocin

1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-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: Argiprestocin|Arginine vasotocin|Arg-vasotocin|8-Arg-vasotocin|[Arg8]vasotocin|Arginine-vasotocin|8-Arginineoxytocin|VASOTOCIN|8-Arginine vasotocin|8-L-Arginineoxytocin|Argiprestocin [INN]|(Arg(sup 8))oxytocin|Oxytocin, 8-L-arginine-|Argiprestocine [INN-French]|Argiprestocinum [INN-Latin]|Argiprestocina [INN-Spanish]|GTPL2169|Natriuretic hormone (ox pineal)|KST-1A9943|Cys-Tyr-Ile-Gln-Asn-Cys-Pro-Arg-Gly-NH2|1-{[(4r,7s,10s,16s,19r)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2s)-butan-2-yl]-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}prolyl-n5-(diaminomethylidene)-l-ornithylglycinamide|L-cysteinyl-L-tyrosyl-(3S)-DL-isoleucyl-L-glutaminyl-L-asparagyl-L-cysteinyl-DL-prolyl-L-arginyl-glycinamide (1->6)-disulfide|1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-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|AVT

Molecular Formula	C43H67N15O12S2
Molecular Weight	1049.4535 g/mol
LogP	-5.6
Topological Polar Surface Area	463.93 Ų
Hydrogen Bond Donors	14
Hydrogen Bond Acceptors	16
Rotatable Bonds	19
Exact Mass	1049.4535
Heavy Atoms	72
Complexity	2166.9

Chemical Identifiers

CAS Number	113-80-4
SMILES	CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N