2-[[[5-azanyl-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-phenylmethoxycarbonyl-amino]methyl]benzoic acid

Systemtic Name: 2-[[[5-azanyl-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-phenylmethoxycarbonyl-amino]methyl]benzoic acid Openeye Name: 2-[[(4-amino-1-carboxy-4-oxo-butyl)-benzyloxycarbonyl-amino]methyl]benzoic acid CAS Name: 2-[[(5-amino-1-hydroxy-1,5-dioxopentan-2-yl)-phenylmethoxycarbonylamino]methyl]benzoic acid IUPAC Name: 2-[[(5-amino-1-hydroxy-1,5-dioxopentan-2-yl)-phenylmethoxycarbonylamino]methyl]benzoic acid Traditional Name: 2-[[(4-amino-1-carboxy-4-keto-butyl)-carbobenzoxy-amino]methyl]benzoic acid Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(CC2=CC=CC=C2C(=O)O)C(CCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(CC2=CC=CC=C2C(=O)O)C(CCC(=O)N)C(=O)O

InChI

InChI=1S/C21H22N2O7/c22-18(24)11-10-17(20(27)28)23(12-15-8-4-5-9-16(15)19(25)26)21(29)30-13-14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H2,22,24)(H,25,26)(H,27,28)