5-azanyl-5-oxidanylidene-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]pentanoic acid

Systemtic Name: 5-azanyl-5-oxidanylidene-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]pentanoic acid Openeye Name: 5-amino-5-oxo-2-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]pentanoic acid CAS Name: 5-amino-5-oxo-2-[[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]pentanoic acid IUPAC Name: 5-amino-5-oxo-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]pentanoic acid Traditional Name: 5-amino-5-keto-2-[[(E)-3-(3-pyridyl)acryloyl]amino]valeric acid Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CN=C1)/C=C/C(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C13H15N3O4/c14-11(17)5-4-10(13(19)20)16-12(18)6-3-9-2-1-7-15-8-9/h1-3,6-8,10H,4-5H2,(H2,14,17)(H,16,18)(H,19,20)/b6-3+