Argiprestocin
1-[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-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-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Also Known As: Argiprestocin, VASOTOCIN, Vasopressin, Arginine vasotocin, Arginine oxytocin, Pitressin tannate, beta-Hypophamine, Vasopressin acetate, Ziconotide acetate, [Arg8]-vasotocin, Vasopressin, isoleucyl, 3-Isoleucyl vasopressin, (8-Arginine)Oxytocin, Vasopressin, non-mammalian, PVP-4192-V
| 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 |
Chemical Identifiers
| CAS Number | 9034-50-8 |
|---|---|
| SMILES | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N |
Product Overview
Argiprestocin (CAS 9034-50-8), with molecular formula C43H67N15O12S2 and molecular weight 1049.4535 g/mol. IUPAC: 1-[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-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-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.
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