(2S)-N-(2-azanyl-2-oxidanylidene-ethyl)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanamide

Systemtic Name: (2S)-N-(2-azanyl-2-oxidanylidene-ethyl)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanamide Openeye Name: (2S)-N-(2-amino-2-oxo-ethyl)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanamide CAS Name: (2S)-N-(2-amino-2-oxoethyl)-3-(1H-imidazol-5-yl)-2-[(1-oxo-3-phenylpropyl)amino]propanamide IUPAC Name: (2S)-N-(2-amino-2-oxoethyl)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanamide Traditional Name: (2S)-N-(2-amino-2-keto-ethyl)-2-(hydrocinnamoylamino)-3-(1H-imidazol-5-yl)propionamide Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CC2=CN=CN2)C(=O)NCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N[C@@H](CC2=CN=CN2)C(=O)NCC(=O)N

InChI

InChI=1S/C17H21N5O3/c18-15(23)10-20-17(25)14(8-13-9-19-11-21-13)22-16(24)7-6-12-4-2-1-3-5-12/h1-5,9,11,14H,6-8,10H2,(H2,18,23)(H,19,21)(H,20,25)(H,22,24)/t14-/m0/s1