(E)-2-azanyl-3-(2-azanyl-1-phenyl-ethyl)-4-oxidanylidene-hept-2-enoic acid

Systemtic Name: (E)-2-azanyl-3-(2-azanyl-1-phenyl-ethyl)-4-oxidanylidene-hept-2-enoic acid Openeye Name: (E)-2-amino-3-(2-amino-1-phenyl-ethyl)-4-oxo-hept-2-enoic acid CAS Name: (E)-2-amino-3-(2-amino-1-phenylethyl)-4-oxo-2-heptenoic acid IUPAC Name: (E)-2-amino-3-(2-amino-1-phenylethyl)-4-oxohept-2-enoic acid Traditional Name: (E)-2-amino-3-(2-amino-1-phenyl-ethyl)-4-keto-hept-2-enoic acid Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(=C(C(=O)O)N)C(CN)C1=CC=CC=C1

Isomeric SMILES

CCCC(=O)/C(=C(\C(=O)O)/N)/C(CN)C1=CC=CC=C1

InChI

InChI=1S/C15H20N2O3/c1-2-6-12(18)13(14(17)15(19)20)11(9-16)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9,16-17H2,1H3,(H,19,20)/b14-13+