2-acetamido-3-[(3E)-3-(2-azanyl-1-oxidanyl-3-phenyl-propylidene)-4-oxidanylidene-cyclohex-1-en-5-yn-1-yl]propanoic acid

Systemtic Name: 2-acetamido-3-[(3E)-3-(2-azanyl-1-oxidanyl-3-phenyl-propylidene)-4-oxidanylidene-cyclohex-1-en-5-yn-1-yl]propanoic acid Openeye Name: 2-acetamido-3-[(3E)-3-(2-amino-1-hydroxy-3-phenyl-propylidene)-4-oxo-cyclohex-1-en-5-yn-1-yl]propanoic acid CAS Name: 2-acetamido-3-[(3E)-3-(2-amino-1-hydroxy-3-phenylpropylidene)-4-oxo-1-cyclohex-1-en-5-ynyl]propanoic acid IUPAC Name: 2-acetamido-3-[(3E)-3-(2-amino-1-hydroxy-3-phenylpropylidene)-4-oxocyclohex-1-en-5-yn-1-yl]propanoic acid Traditional Name: 2-acetamido-3-[(3E)-3-(2-amino-1-hydroxy-3-phenyl-propylidene)-4-keto-cyclohex-1-en-5-yn-1-yl]propionic acid Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C(CC2=CC=CC=C2)N)O)C(=O)C#C1)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=C/C(=C(/C(CC2=CC=CC=C2)N)\O)/C(=O)C#C1)C(=O)O

InChI

InChI=1S/C20H20N2O5/c1-12(23)22-17(20(26)27)11-14-7-8-18(24)15(9-14)19(25)16(21)10-13-5-3-2-4-6-13/h2-6,9,16-17,25H,10-11,21H2,1H3,(H,22,23)(H,26,27)/b19-15+