(3S)-3-(3-imidazol-1-ylpropanoylamino)-3-phenyl-propanoate

Systemtic Name: (3S)-3-(3-imidazol-1-ylpropanoylamino)-3-phenyl-propanoate Openeye Name: (3S)-3-(3-imidazol-1-ylpropanoylamino)-3-phenyl-propanoate CAS Name: (3S)-3-[[3-(1-imidazolyl)-1-oxopropyl]amino]-3-phenylpropanoate IUPAC Name: (3S)-3-(3-imidazol-1-ylpropanoylamino)-3-phenylpropanoate Traditional Name: (3S)-3-(3-imidazol-1-ylpropanoylamino)-3-phenyl-propionate Formula: C15H16N3O3- MolecularWeight: 286.30584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)CCN2C=CN=C2

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)[O-])NC(=O)CCN2C=CN=C2

InChI

InChI=1S/C15H17N3O3/c19-14(6-8-18-9-7-16-11-18)17-13(10-15(20)21)12-4-2-1-3-5-12/h1-5,7,9,11,13H,6,8,10H2,(H,17,19)(H,20,21)/p-1/t13-/m0/s1