Basic information
- Standard SMILES
COC(=O)[C@H](CSCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)O- InChIKey
OAMXLRLMGGDLQU-PFBJBMPXSA-N- Molecular formula
- C30H33NO5S
- Average molar mass
- 519.7 g/mol
- Monoisotopic mass
- 519.20794433
Names & identifiers
- Preferred name
- N-[(S,S)-2,4-dibenzyl-4-carboxy-butyryl]-S-benzyl-(L)-cysteine methyl ester
- IUPAC
- (2S,4S)-2,4-dibenzyl-5-[[(2R)-3-benzylsulfanyl-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Names & synonyms
SCHEMBL9621964OAMXLRLMGGDLQU-PFBJBMPXSA-NN-[(S,S)-2,4-dibenzyl-4-carboxy-butyryl]-S-benzyl-(L)-cysteine methyl esterN-[(S,S)-2,4-dibenzyl-4-carboxybutyryl]-S-benzyl-(L)-cysteine methyl ester
Database identifiers
- PubChem CID
- 14997155
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 698
Related reactions
4 records
Compound notes
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