4-[aminocarbonyl-(1-oxidanylidene-1-phenoxy-3-phenyl-propan-2-yl)amino]-3-azanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[aminocarbonyl-(1-oxidanylidene-1-phenoxy-3-phenyl-propan-2-yl)amino]-3-azanyl-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[(1-benzyl-2-oxo-2-phenoxy-ethyl)-carbamoyl-amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[carbamoyl-(1-oxo-1-phenoxy-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[carbamoyl-(1-oxo-1-phenoxy-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[(1-benzyl-2-keto-2-phenoxy-ethyl)-carbamoyl-amino]-4-keto-butyric acid Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OC2=CC=CC=C2)N(C(=O)C(CC(=O)O)N)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OC2=CC=CC=C2)N(C(=O)C(CC(=O)O)N)C(=O)N

InChI

InChI=1S/C20H21N3O6/c21-15(12-17(24)25)18(26)23(20(22)28)16(11-13-7-3-1-4-8-13)19(27)29-14-9-5-2-6-10-14/h1-10,15-16H,11-12,21H2,(H2,22,28)(H,24,25)