Basic information
- Standard SMILES
COC(=O)C(CCC(=O)c1cccs1)(N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)C(=O)OC- InChIKey
LAMZHPIDYWLUGZ-HOTGVXAUSA-N- Molecular formula
- C24H34N2O8S
- Average molar mass
- 510.6 g/mol
- Monoisotopic mass
- 510.20358722
Names & identifiers
- Preferred name
- N-[1,1-dimethoxycarbonyl-4-oxo-4-(2-thienyl)butyl]-L-alanyl-L-proline t-butyl ester
- IUPAC
- dimethyl 2-[[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-(3-oxo-3-thiophen-2-ylpropyl)propanedioate
Names & synonyms
SCHEMBL10783188LAMZHPIDYWLUGZ-HOTGVXAUSA-NN-[1,1-dimethoxycarbonyl-4-oxo-4-(2-thienyl)butyl]-L-alanyl-L-proline t-butyl ester
Database identifiers
- PubChem CID
- 70443263
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 809
Related reactions
3 records
Compound notes
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