(S)-2-(((Benzyloxy)carbonyl)amino)-3-(1-methyl-1H-imidazol-4-yl)propanoic acid
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Basic information
- Standard SMILES
Cn1cnc(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1- InChIKey
JGTGZOPMXLJWEG-ZDUSSCGKSA-N- Molecular formula
- C15H17N3O4
- Average molar mass
- 303.31 g/mol
- Monoisotopic mass
- 303.12190603
Names & identifiers
- Preferred name
- (S)-2-(((Benzyloxy)carbonyl)amino)-3-(1-methyl-1H-imidazol-4-yl)propanoic acid
- IUPAC
- (2S)-3-(1-methylimidazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
Names & synonyms
95730-02-2(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(1-methyl-1H-imidazol-4-yl)propanoic acid(S)-2-(((Benzyloxy)carbonyl)amino)-3-(1-methyl-1H-imidazol-4-yl)propanoic acidCbz-His(1-Me)JGTGZOPMXLJWEG-ZDUSSCGKSA-NEN300-28290910
Database identifiers
- PubChem CID
- 13490232
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 385
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Related reactions
2 records
Compound notes
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