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

Systemtic Name: 5-azanyl-2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[(E)-3-(3-bromophenyl)acryloyl]amino]-5-keto-valeric acid Formula: C14H15BrN2O4 MolecularWeight: 355.1839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN2O4/c15-10-3-1-2-9(8-10)4-7-13(19)17-11(14(20)21)5-6-12(16)18/h1-4,7-8,11H,5-6H2,(H2,16,18)(H,17,19)(H,20,21)/b7-4+