4-azanyl-4-oxidanylidene-2-[phenylmethoxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]butanoic acid

Systemtic Name: 4-azanyl-4-oxidanylidene-2-[phenylmethoxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]butanoic acid Openeye Name: 4-amino-2-[benzyloxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-4-oxo-2-[phenylmethoxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]butanoic acid IUPAC Name: 4-amino-4-oxo-2-[phenylmethoxycarbonyl-[(2,4,6-trimethoxyphenyl)methyl]amino]butanoic acid Traditional Name: 4-amino-2-[carbobenzoxy-(2,4,6-trimethoxybenzyl)amino]-4-keto-butyric acid Formula: C22H26N2O8 MolecularWeight: 446.45044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)CN(C(CC(=O)N)C(=O)O)C(=O)OCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)CN(C(CC(=O)N)C(=O)O)C(=O)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C22H26N2O8/c1-29-15-9-18(30-2)16(19(10-15)31-3)12-24(17(21(26)27)11-20(23)25)22(28)32-13-14-7-5-4-6-8-14/h4-10,17H,11-13H2,1-3H3,(H2,23,25)(H,26,27)