3-azanyl-4-[5-(4-cyanophenyl)pent-4-ynoyl-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[5-(4-cyanophenyl)pent-4-ynoyl-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[(1-benzyl-2-hydroxy-2-oxo-ethyl)-[5-(4-cyanophenyl)pent-4-ynoyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[5-(4-cyanophenyl)-1-oxopent-4-ynyl]-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[5-(4-cyanophenyl)pent-4-ynoyl-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[(1-benzyl-2-hydroxy-2-keto-ethyl)-[5-(4-cyanophenyl)pent-4-ynoyl]amino]-4-keto-butyric acid Formula: C25H23N3O6 MolecularWeight: 461.46662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N(C(=O)CCC#CC2=CC=C(C=C2)C#N)C(=O)C(CC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N(C(=O)CCC#CC2=CC=C(C=C2)C#N)C(=O)C(CC(=O)O)N

InChI

InChI=1S/C25H23N3O6/c26-16-19-12-10-17(11-13-19)6-4-5-9-22(29)28(24(32)20(27)15-23(30)31)21(25(33)34)14-18-7-2-1-3-8-18/h1-3,7-8,10-13,20-21H,5,9,14-15,27H2,(H,30,31)(H,33,34)