(1S,2R)-2-[(3-phenylpropanoylamino)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[(3-phenylpropanoylamino)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[(3-phenylpropanoylamino)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[oxo-[(1-oxo-3-phenylpropyl)hydrazo]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[(3-phenylpropanoylamino)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[(hydrocinnamoylamino)carbamoyl]cyclohexanecarboxylic acid Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NNC(=O)CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NNC(=O)CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H22N2O4/c20-15(11-10-12-6-2-1-3-7-12)18-19-16(21)13-8-4-5-9-14(13)17(22)23/h1-3,6-7,13-14H,4-5,8-11H2,(H,18,20)(H,19,21)(H,22,23)/t13-,14+/m1/s1