Basic information
- CAS
5327-71-9- Standard SMILES
CC(C)CC(NC=O)C(=O)O.COc1cc2c(cc1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC43- InChIKey
GVHWPCGCEYRPCZ-UHFFFAOYSA-N- Molecular formula
- C30H39N3O7
- Average molar mass
- 553.6 g/mol
- Monoisotopic mass
- 553.27880059
Names & identifiers
- Preferred name
- N-Formylleucine-2,3-dimethoxystrychnidin-10-one
- IUPAC
- 10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;2-formamido-4-methylpentanoic acid
Names & synonyms
NSC3391MLS0007364975327-71-9CHEMBL1876073DTXSID10967852HMS2269B23NSC-3391NCGC00247645-01SMR000528046N-Formylleucine - 2,3-dimethoxystrychnidin-10-onedimethoxy[?]one; 2-formamido-4-methyl-pentanoic acidN-(Hydroxymethylidene)leucine--2,3-dimethoxystrychnidin-10-one (1/1)
Database identifiers
- CAS
5327-71-9- PubChem CID
- 220522
- DTXSID
DTXSID10967852- ChEMBL
CHEMBL1876073
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 929
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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