Saframycin H
N-[[(1R,2S,10R,13S)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]-2-hydroxy-2-methyl-4-oxopentanamide
Also Known As: Saframycin H|25-Dihydro-25-beta-ketopropylsaframycin A|Pentanamide, N-((7-cyano-1,5,6,7,9,10,13,14,14a,15-decahydro-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-6,15-imino-4H-isoquino(3,2-b)(3)benzazocin-9-yl)methyl)-2-hydroxy-2-methyl-4-oxo-|N-(((1R,2S,10R,13S)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo(11.7.1.02,11.04,9.015,20)henicosa-4(9),6,15(20),17-tetraen-10-yl)methyl)-2-hydroxy-2-methyl-4-oxopentanamide|N-[(7-Cyano-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-1,5,6,7,9,10,13,14,14a,15-decahydro-4H-6,15-epiminoisoquinolino[3,2-b][3]benzazocin-9-yl)methyl]-2-hydroxy-2-methyl-4-oxopentanimidic acid|N-[[(1R,2S,10R,13S)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]-2-hydroxy-2-methyl-4-oxopentanamide|N-{[(6S,9R,14aS,15R)-7-Cyano-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-1,5,6,7,9,10,13,14,14a,15-decahydro-4H-6,15-epiminoisoquinolino[3,2-b][3]benzazocin-9-yl]methyl}-2-hydroxy-2-methyl-4-oxopentanimidic acid
| Molecular Formula | C32H36N4O9 |
|---|---|
| Molecular Weight | 620.2482 g/mol |
| LogP | -0.00832 |
| Topological Polar Surface Area | 183.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 620.2482 |
| Monoisotopic Mass | 620.2482 |
| Heavy Atoms | 45 |
| Complexity | 1638.748 |
Chemical Identifiers
| CAS Number | 92569-01-2 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)C[C@H]3[C@H]4C5=C(C[C@H](N4C)C(N3[C@H]2CNC(=O)C(C)(CC(=O)C)O)C#N)C(=O)C(=C(C5=O)OC)C)OC |
Product Overview
Saframycin H (CAS 92569-01-2), with molecular formula C32H36N4O9 and molecular weight 620.2482 g/mol. IUPAC: N-[[(1R,2S,10R,13S)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]-2-hydroxy-2-methyl-4-oxopentanamide.