(2S)-2-azanyl-3-[(1R)-4-oxidanyl-6-oxidanylidene-3-(2-pyridin-2-ylhydrazinyl)cyclohexa-2,4-dien-1-yl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[(1R)-4-oxidanyl-6-oxidanylidene-3-(2-pyridin-2-ylhydrazinyl)cyclohexa-2,4-dien-1-yl]propanoic acid Openeye Name: (2S)-2-amino-3-[(1R)-4-hydroxy-6-oxo-3-[2-(2-pyridyl)hydrazino]cyclohexa-2,4-dien-1-yl]propanoic acid CAS Name: (2S)-2-amino-3-[(1R)-4-hydroxy-6-oxo-3-(2-pyridinylhydrazo)-1-cyclohexa-2,4-dienyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[(1R)-4-hydroxy-6-oxo-3-(2-pyridin-2-ylhydrazinyl)cyclohexa-2,4-dien-1-yl]propanoic acid Traditional Name: (2S)-2-amino-3-[(1R)-4-hydroxy-6-keto-3-[N'-(2-pyridyl)hydrazino]cyclohexa-2,4-dien-1-yl]propionic acid Formula: C14H16N4O4 MolecularWeight: 304.30124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NNC2=CC(C(=O)C=C2O)CC(C(=O)O)N

Isomeric SMILES

C1=CC=NC(=C1)NNC2=C[C@H](C(=O)C=C2O)C[C@@H](C(=O)O)N

InChI

InChI=1S/C14H16N4O4/c15-9(14(21)22)5-8-6-10(12(20)7-11(8)19)17-18-13-3-1-2-4-16-13/h1-4,6-9,17,20H,5,15H2,(H,16,18)(H,21,22)/t8-,9+/m1/s1