Basic information
- Standard SMILES
C=CCOC(=O)N[C@@H](Cc1ccc(C(=N)N)cc1)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC.Cl- InChIKey
ZRIBKUSWFUGKFG-APTPAJQOSA-N- Molecular formula
- C24H35ClN4O7
- Average molar mass
- 527 g/mol
Names & identifiers
- Preferred name
- 2-(S)-[2-(S)-Allyloxycarbonylamino-3-(4-carbamimidoyl-phenyl)-propionylamino]-pentanedioic acid 5-tert-butyl ester 1-methyl ester hydrochloride
- IUPAC
- 5-O-tert-butyl 1-O-methyl (2S)-2-[[(2S)-3-(4-carbamimidoylphenyl)-2-(prop-2-enoxycarbonylamino)propanoyl]amino]pentanedioate;hydrochloride
Names & synonyms
SCHEMBL3366277ZRIBKUSWFUGKFG-APTPAJQOSA-N2-(S)-[2-(S)-Allyloxycarbonylamino-3-(4-carbamimidoyl-phenyl)-propionylamino]-pentanedioic acid 5-tert-butyl ester 1-methyl ester hydrochloride
Database identifiers
- PubChem CID
- 68614887
Properties
Computed structural properties
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 770
Related reactions
2 records
Compound notes
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