Basic information
- CAS
23067-37-0- Standard SMILES
CCC(C)C1NC(=O)C(NC(=O)c2c3[nH]c4c(C(=O)NC5C(=O)NC(C(C)CC)C(=O)N6CCCC6C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC5C)ccc(C)c4oc-3c(C)c(=O)c2=O)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCN2C1=O- InChIKey
ZEMWHSHZXZVIBG-UHFFFAOYSA-N- Molecular formula
- C64H89N11O17
- Average molar mass
- 1,284.5 g/mol
- Monoisotopic mass
- 1,283.64379041
Names & identifiers
- Preferred name
- 1-N,9-N-bis(3-butan-2-yl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-4,6-dimethyl-2,3-dioxo-10H-phenoxazine-1,9-dicarboxamide
- IUPAC
- 1-N,9-N-bis(3-butan-2-yl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-4,6-dimethyl-2,3-dioxo-10H-phenoxazine-1,9-dicarboxamide
Names & synonyms
NSC237106Desaminoactinomycin C2-Hydroxy-2-desamino-actinomycin C323067-37-0Actinomycin D, 2-deamino-2A-D-alloisoleucine-2B-D-alloisoleucine-1-N,9-N-bis(3-butan-2-yl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-4,6-dimethyl-2,3-dioxo-10H-phenoxazine-1,9-dicarboxamideCHEMBL19781432-Hydroxy-2-deaminoactinomycin C2-Hydroxy-2-desaminoactinomycin C3Actinomycin C3 2-hydroxy-2-desamino-NSC-237106ACTINOMYCIN C3,2-HYDROXY-2-DESAMINO-
Show more names
ACTINOMYCIN C3, 2-HYDROXY-2-DESAMINO-2-hydroxy-N1,N9-bis(10-isopropyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3-sec-butyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-4,6-dimethyl-3-oxo-phenoxazine-1,9-dicarboxamide
Database identifiers
- CAS
23067-37-0
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 346 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 10
- Heavy atoms
- 92
- Formal charge
- 0
- Complexity
- 3,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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