Neoviridogrisein IV
3-hydroxy-N-[(3R,6S,7R,10S,13S,22R,24R)-24-hydroxy-7,11,13,17,20-pentamethyl-16-[(2S)-3-methylbutan-2-yl]-3-(2-methylpropyl)-2,5,9,12,15,18,21-heptaoxo-10-phenyl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-6-yl]pyridine-2-carboxamide
Also Known As: Etamycin|Etamycin A|Viridogrisein|Neoviridogrisein IV|Viridogrisein I|Antibiotic K-179|Antibiotic F-1370A|3-hydroxy-N-[(3R,6S,7R,10S,13S,22R,24R)-24-hydroxy-7,11,13,17,20-pentamethyl-16-[(2S)-3-methylbutan-2-yl]-3-(2-methylpropyl)-2,5,9,12,15,18,21-heptaoxo-10-phenyl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-6-yl]pyridine-2-carboxamide
| Molecular Formula | C44H62N8O11 |
|---|---|
| Molecular Weight | 878.4538 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 248.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 878.4538 |
| Monoisotopic Mass | 878.4538 |
| Heavy Atoms | 63 |
| Complexity | 1670.0 |
Chemical Identifiers
| CAS Number | 299-20-7 |
|---|---|
| SMILES | C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2C[C@@H](C[C@@H]2C(=O)N(CC(=O)N(C(C(=O)N[C@H](C(=O)N([C@H](C(=O)O1)C3=CC=CC=C3)C)C)[C@@H](C)C(C)C)C)C)O)CC(C)C)NC(=O)C4=C(C=CC=N4)O |
| InChIKey | SATIISJKSAELDC-PTHMJROFSA-N |
Product Overview
Neoviridogrisein IV (CAS 299-20-7), with molecular formula C44H62N8O11 and molecular weight 878.4538 g/mol. IUPAC: 3-hydroxy-N-[(3R,6S,7R,10S,13S,22R,24R)-24-hydroxy-7,11,13,17,20-pentamethyl-16-[(2S)-3-methylbutan-2-yl]-3-(2-methylpropyl)-2,5,9,12,15,18,21-heptaoxo-10-phenyl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-6-yl]pyridine-2-carboxamide.