2-[(3-azanyl-4-methoxy-2-methoxycarbonyl-4-oxidanylidene-butanoyl)-[(2,4-dimethoxyphenyl)methyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(3-azanyl-4-methoxy-2-methoxycarbonyl-4-oxidanylidene-butanoyl)-[(2,4-dimethoxyphenyl)methyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[(3-amino-4-methoxy-2-methoxycarbonyl-4-oxo-butanoyl)-[(2,4-dimethoxyphenyl)methyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[(3-amino-4-methoxy-2-methoxycarbonyl-1,4-dioxobutyl)-[(2,4-dimethoxyphenyl)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(3-amino-4-methoxy-2-methoxycarbonyl-4-oxobutanoyl)-[(2,4-dimethoxyphenyl)methyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[(3-amino-2-carbomethoxy-4-keto-4-methoxy-butanoyl)-(2,4-dimethoxybenzyl)amino]-3-phenyl-propionic acid Formula: C25H30N2O9 MolecularWeight: 502.5137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O9/c1-33-17-11-10-16(19(13-17)34-2)14-27(18(23(29)30)12-15-8-6-5-7-9-15)22(28)20(24(31)35-3)21(26)25(32)36-4/h5-11,13,18,20-21H,12,14,26H2,1-4H3,(H,29,30)