4-azanyl-2-[hydroxymethyl(phenylmethoxycarbonyl)amino]-3-oxidanylidene-2-(phenylmethyl)hexanedioic acid

Systemtic Name: 4-azanyl-2-[hydroxymethyl(phenylmethoxycarbonyl)amino]-3-oxidanylidene-2-(phenylmethyl)hexanedioic acid Openeye Name: 4-amino-2-benzyl-2-[benzyloxycarbonyl(hydroxymethyl)amino]-3-oxo-hexanedioic acid CAS Name: 4-amino-2-[hydroxymethyl(phenylmethoxycarbonyl)amino]-3-oxo-2-(phenylmethyl)hexanedioic acid IUPAC Name: 4-amino-2-benzyl-2-[hydroxymethyl(phenylmethoxycarbonyl)amino]-3-oxohexanedioic acid Traditional Name: 4-amino-2-benzyl-2-[carbobenzoxy(methylol)amino]-3-keto-adipic acid Formula: C22H24N2O8 MolecularWeight: 444.43456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C(CC(=O)O)N)(C(=O)O)N(CO)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)C(CC(=O)O)N)(C(=O)O)N(CO)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H24N2O8/c23-17(11-18(26)27)19(28)22(20(29)30,12-15-7-3-1-4-8-15)24(14-25)21(31)32-13-16-9-5-2-6-10-16/h1-10,17,25H,11-14,23H2,(H,26,27)(H,29,30)