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

Systemtic Name: 5-azanyl-2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[(E)-3-(m-tolyl)prop-2-enoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[(E)-3-(3-methylphenyl)-1-oxoprop-2-enyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-2-[[(E)-3-(m-tolyl)acryloyl]amino]valeric acid Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C15H18N2O4/c1-10-3-2-4-11(9-10)5-8-14(19)17-12(15(20)21)6-7-13(16)18/h2-5,8-9,12H,6-7H2,1H3,(H2,16,18)(H,17,19)(H,20,21)/b8-5+