3-[3-(1,3-dihydro-2-benzofuran-5-yl)propylamino]-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[3-(1,3-dihydro-2-benzofuran-5-yl)propylamino]-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]-3-[3-(1,3-dihydroisobenzofuran-5-yl)propylamino]-4-oxo-butanoic acid CAS Name: 3-[3-(1,3-dihydroisobenzofuran-5-yl)propylamino]-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[3-(1,3-dihydro-2-benzofuran-5-yl)propylamino]-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(1-benzyl-2-keto-2-methoxy-ethyl)amino]-4-keto-3-(3-phthalan-5-ylpropylamino)butyric acid Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NCCCC2=CC3=C(COC3)C=C2

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NCCCC2=CC3=C(COC3)C=C2

InChI

InChI=1S/C25H30N2O6/c1-32-25(31)22(13-17-6-3-2-4-7-17)27-24(30)21(14-23(28)29)26-11-5-8-18-9-10-19-15-33-16-20(19)12-18/h2-4,6-7,9-10,12,21-22,26H,5,8,11,13-16H2,1H3,(H,27,30)(H,28,29)