3-[3-(4-methoxy-3-oxidanyl-phenyl)propylamino]-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butanoic acid

Systemtic Name: 3-[3-(4-methoxy-3-oxidanyl-phenyl)propylamino]-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butanoic acid Openeye Name: 4-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-3-[3-(3-hydroxy-4-methoxy-phenyl)propylamino]-4-oxo-butanoic acid CAS Name: 3-[3-(3-hydroxy-4-methoxyphenyl)propylamino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[3-(3-hydroxy-4-methoxyphenyl)propylamino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-3-[3-(3-hydroxy-4-methoxy-phenyl)propylamino]-4-keto-butyric acid Formula: C23H28N2O7 MolecularWeight: 444.47762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCCNC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CCCNC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)O

InChI

InChI=1S/C23H28N2O7/c1-32-20-10-9-16(13-19(20)26)8-5-11-24-17(14-21(27)28)22(29)25-18(23(30)31)12-15-6-3-2-4-7-15/h2-4,6-7,9-10,13,17-18,24,26H,5,8,11-12,14H2,1H3,(H,25,29)(H,27,28)(H,30,31)