(2S)-N-[(2S)-1-azanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-2-(3-phenylpropanoylamino)butanediamide

Systemtic Name: (2S)-N-[(2S)-1-azanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-2-(3-phenylpropanoylamino)butanediamide Openeye Name: (2S)-N-[(1S)-2-amino-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-2-(3-phenylpropanoylamino)butanediamide CAS Name: (2S)-N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[(1-oxo-3-phenylpropyl)amino]butanediamide IUPAC Name: (2S)-N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(3-phenylpropanoylamino)butanediamide Traditional Name: (2S)-N-[(1S)-2-amino-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]-2-(hydrocinnamoylamino)succinamide Formula: C19H24N6O4 MolecularWeight: 400.43166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N6O4/c20-16(26)9-15(24-17(27)7-6-12-4-2-1-3-5-12)19(29)25-14(18(21)28)8-13-10-22-11-23-13/h1-5,10-11,14-15H,6-9H2,(H2,20,26)(H2,21,28)(H,22,23)(H,24,27)(H,25,29)/t14-,15-/m0/s1