Basic information
- Standard SMILES
C=CCOC(=O)N[C@@H](Cc1ccc(C(=N)N)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)NCCc1ccccc1.Cl- InChIKey
LIEROIDKBSZGLJ-NYTZCTPBSA-N- Molecular formula
- C31H40ClN7O8
- Average molar mass
- 674.1 g/mol
Names & identifiers
- Preferred name
- 4-(S)-[2-(S)-Allyloxycarbonylamino-3-(4-carbamimidoyl-phenyl)-propionylamino]-4-(2-carbamoyl-1-(S)-(2-phenylethylcarbamoyl)-ethylcarbamoyl)-butyric acid hydrochloride
- IUPAC
- (4S)-5-[[(2S)-4-amino-1,4-dioxo-1-(2-phenylethylamino)butan-2-yl]amino]-4-[[(2S)-3-(4-carbamimidoylphenyl)-2-(prop-2-enoxycarbonylamino)propanoyl]amino]-5-oxopentanoic acid;hydrochloride
Names & synonyms
SCHEMBL3366663LIEROIDKBSZGLJ-NYTZCTPBSA-N4-(S)-[2-(S)-Allyloxycarbonylamino-3-(4-carbamimidoyl-phenyl)-propionylamino]-4-(2-carbamoyl-1-(S)-(2-phenylethylcarbamoyl)-ethylcarbamoyl)-butyric acid hydrochloride
Database identifiers
- PubChem CID
- 68614996
Properties
Computed structural properties
- Topological polar surface area
- 256 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 20
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
1 records
Compound notes
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