4-azanyl-4-oxidanylidene-2-[2-(4-phenyldiazenylphenyl)propan-2-yloxycarbonylamino]butanoic acid

Systemtic Name: 4-azanyl-4-oxidanylidene-2-[2-(4-phenyldiazenylphenyl)propan-2-yloxycarbonylamino]butanoic acid Openeye Name: 4-amino-2-[[1-methyl-1-(4-phenylazophenyl)ethoxy]carbonylamino]-4-oxo-butanoic acid CAS Name: 4-amino-4-oxo-2-[[oxo-[2-(4-phenyldiazenylphenyl)propan-2-yloxy]methyl]amino]butanoic acid IUPAC Name: 4-amino-4-oxo-2-[2-(4-phenyldiazenylphenyl)propan-2-yloxycarbonylamino]butanoic acid Traditional Name: 4-amino-4-keto-2-[[1-methyl-1-(4-phenylazophenyl)ethoxy]carbonylamino]butyric acid Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)N=NC2=CC=CC=C2)OC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)N=NC2=CC=CC=C2)OC(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C20H22N4O5/c1-20(2,29-19(28)22-16(18(26)27)12-17(21)25)13-8-10-15(11-9-13)24-23-14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H2,21,25)(H,22,28)(H,26,27)