Oxytocin, malamidic acid(5-beta)-
1-[10-amino-2-(2-amino-2-oxoethyl)-19-(3-amino-3-oxopropyl)-16-butan-2-yl-13-[(4-hydroxyphenyl)methyl]-3,11,14,17,20-pentaoxo-1-oxa-7,8-dithia-4,12,15,18-tetrazacycloicosane-5-carbonyl]-N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Also Known As: 5-Bma-oxytocin|5-beta-Malamidic acid-oxytocin|Oxytocin, malamidic acid(5-beta)-|Oxytocin, 5-(4-amino-4-oxo-L-2-hydroxybutanoic acid)-|1-[10-amino-2-(2-amino-2-oxoethyl)-19-(3-amino-3-oxopropyl)-16-butan-2-yl-13-[(4-hydroxyphenyl)methyl]-3,11,14,17,20-pentaoxo-1-oxa-7,8-dithia-4,12,15,18-tetrazacycloicosane-5-carbonyl]-N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidin|1-[10-amino-2-(2-amino-2-oxoethyl)-19-(3-amino-3-oxopropyl)-16-butan-2-yl-13-[(4-hydroxyphenyl)methyl]-3,11,14,17,20-pentaoxo-1-oxa-7,8-dithia-4,12,15,18-tetrazacycloicosane-5-carbonyl]-N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
| Molecular Formula | C43H65N11O13S2 |
|---|---|
| Molecular Weight | 1007.4205 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 447.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 17 |
| Exact Mass | 1007.4205 |
| Monoisotopic Mass | 1007.4205 |
| Heavy Atoms | 69 |
| Complexity | 1870.0 |
Chemical Identifiers
| CAS Number | 83281-46-3 |
|---|---|
| SMILES | CCC(C)C1C(=O)NC(C(=O)OC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N |
| InChIKey | WMKKPLUNPLSYJR-UHFFFAOYSA-N |
Product Overview
Oxytocin, malamidic acid(5-beta)- (CAS 83281-46-3), with molecular formula C43H65N11O13S2 and molecular weight 1007.4205 g/mol. IUPAC: 1-[10-amino-2-(2-amino-2-oxoethyl)-19-(3-amino-3-oxopropyl)-16-butan-2-yl-13-[(4-hydroxyphenyl)methyl]-3,11,14,17,20-pentaoxo-1-oxa-7,8-dithia-4,12,15,18-tetrazacycloicosane-5-carbonyl]-N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.