Actinomycin III
Basic information
- CAS
1402-50-2- Standard SMILES
Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O- InChIKey
GMFXTFCDMISYRV-UHFFFAOYSA-N- Molecular formula
- C60H84N12O16
- Average molar mass
- 1,229.4 g/mol
- Monoisotopic mass
- 1,228.61282464
Names & identifiers
- Preferred name
- Actinomycin III
- IUPAC
- 2-amino-4,6-dimethyl-3-oxo-1-N-[4,7,10,16-tetramethyl-2,5,8,11,14-pentaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-N-[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]phenoxazine-1,9-dicarboxamide
Names & synonyms
ACTINOMYCIN IIINSC 23666160649-11-8DTXSID604200031402-50-2RefChem:317200DTXCID403708502-Amino-4,6-dimethyl-3-oxo-N~1~-[4,7,10,16-tetramethyl-2,5,8,11,14-pentaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]-N~9~-[2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-di(propan-2-yl)hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3H-phenoxazine-1,9-dicarboxamide
Database identifiers
- CAS
1402-50-2、60649-11-8- PubChem CID
- 5458451
- DTXSID
DTXSID60420003
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 356 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 8
- Heavy atoms
- 88
- Formal charge
- 0
- Complexity
- 2,940
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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