Basic information
- Standard SMILES
CC(C)OC(=O)N[C@H]1Cc2c(n(C[C@@H]3[C@@H](O)CCN3C(=O)OC(C)(C)C)c3ccc(C#N)cc23)C1- InChIKey
QVIOAUMSFFAHSG-IMRHEYAYSA-N- Molecular formula
- C26H34N4O5
- Average molar mass
- 482.6 g/mol
- Monoisotopic mass
- 482.2529202
Names & identifiers
- Preferred name
- (2R,3S)-2-((S)-7-Cyano-2-isopropoxycarbonylamino-2,3-dihydro-1H-cyclopenta[b]indol-4-ylmethyl)-3-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (2R,3S)-2-[[(2S)-7-cyano-2-(propan-2-yloxycarbonylamino)-2,3-dihydro-1H-cyclopenta[b]indol-4-yl]methyl]-3-hydroxypyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL1178440QVIOAUMSFFAHSG-IMRHEYAYSA-N(2R,3S)-2-((S)-7-Cyano-2-isopropoxycarbonylamino-2,3-dihydro-1H-cyclopenta[b]indol-4-ylmethyl)-3-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 66933249
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 848
Related reactions
4 records
Compound notes
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