5-[(2S)-2-azanyl-3-[(4-methoxyphenyl)methylamino]-3-oxidanylidene-propyl]-2-(2-methoxy-2-oxidanylidene-ethoxy)benzoic acid

Systemtic Name: 5-[(2S)-2-azanyl-3-[(4-methoxyphenyl)methylamino]-3-oxidanylidene-propyl]-2-(2-methoxy-2-oxidanylidene-ethoxy)benzoic acid Openeye Name: 5-[(2S)-2-amino-3-[(4-methoxyphenyl)methylamino]-3-oxo-propyl]-2-(2-methoxy-2-oxo-ethoxy)benzoic acid CAS Name: 5-[(2S)-2-amino-3-[(4-methoxyphenyl)methylamino]-3-oxopropyl]-2-(2-methoxy-2-oxoethoxy)benzoic acid IUPAC Name: 5-[(2S)-2-amino-3-[(4-methoxyphenyl)methylamino]-3-oxopropyl]-2-(2-methoxy-2-oxoethoxy)benzoic acid Traditional Name: 5-[(2S)-2-amino-3-keto-3-(p-anisylamino)propyl]-2-(2-keto-2-methoxy-ethoxy)benzoic acid Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C(CC2=CC(=C(C=C2)OCC(=O)OC)C(=O)O)N

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)[C@H](CC2=CC(=C(C=C2)OCC(=O)OC)C(=O)O)N

InChI

InChI=1S/C21H24N2O7/c1-28-15-6-3-13(4-7-15)11-23-20(25)17(22)10-14-5-8-18(16(9-14)21(26)27)30-12-19(24)29-2/h3-9,17H,10-12,22H2,1-2H3,(H,23,25)(H,26,27)/t17-/m0/s1