(2S)-5-azanyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-amino-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-2-[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-5-amino-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-5-oxopentanoic acid Traditional Name: (2S)-5-amino-5-keto-2-[[(E)-3-(4-nitrophenyl)acryloyl]amino]valeric acid Formula: C14H15N3O6 MolecularWeight: 321.2854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC(CCC(=O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)N[C@@H](CCC(=O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O6/c15-12(18)7-6-11(14(20)21)16-13(19)8-3-9-1-4-10(5-2-9)17(22)23/h1-5,8,11H,6-7H2,(H2,15,18)(H,16,19)(H,20,21)/b8-3+/t11-/m0/s1