Basic information
- Standard SMILES
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC1CCC(c2ccccc2)(N(C)C)CC1- InChIKey
BSHKTVSGDMNSOP-IJWOKDSUSA-N- Molecular formula
- C28H35N3O3
- Average molar mass
- 461.6 g/mol
- Monoisotopic mass
- 461.26784199
Names & identifiers
- Preferred name
- (2S)-2-[2-(4-Dimethylamino-4-phenylcyclohexyl)acetylamino]-3-(1H-indol-3-yl)propanoic acid methyl ester
- IUPAC
- methyl (2S)-2-[[2-[4-(dimethylamino)-4-phenylcyclohexyl]acetyl]amino]-3-(1H-indol-3-yl)propanoate
Names & synonyms
SCHEMBL2378945BSHKTVSGDMNSOP-IJWOKDSUSA-N(2S)-2-[2-(4-Dimethylamino-4-phenylcyclohexyl)acetylamino]-3-(1H-indol-3-yl)propanoic acid methyl ester
Database identifiers
- PubChem CID
- 67386266
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 682
Related reactions
2 records
Compound notes
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