Azetomicin I
Basic information
- CAS
59519-94-7- Standard SMILES
Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@@H](C(C)C)C(=O)N3CC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O- InChIKey
BVPWSRPVKLEVKE-YYPSEWRFSA-N- Molecular formula
- C61H84N12O16
- Average molar mass
- 1,241.4 g/mol
- Monoisotopic mass
- 1,240.61282464
Names & identifiers
- Preferred name
- Azetomicin I
- IUPAC
- 2-amino-4,6-dimethyl-3-oxo-9-N-[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-1-N-[(3S,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.2.0]octadecan-6-yl]phenoxazine-1,9-dicarboxamide
- English name
- Azetomycin I
- Molecular weight
- 0
Names & synonyms
Azetomicin I59519-94-7RefChem:1077406Azetomycin INSC 244392Actinomycin D, 3(sup A)(or 3-(sup B))-(2-azetidinecarboxylic acid)-
Database identifiers
- CAS
59519-94-7- PubChem CID
- 3085159
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 356 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 8
- Heavy atoms
- 89
- Formal charge
- 0
- Complexity
- 3,010
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Compound notes
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