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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN2O4/c15-10-4-2-1-3-9(10)5-8-13(19)17-11(14(20)21)6-7-12(16)18/h1-5,8,11H,6-7H2,(H2,16,18)(H,17,19)(H,20,21)/b8-5+