4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-[(1-ethoxy-1-oxidanylidene-propan-2-yl)-(phenylmethoxycarbonylamino)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-[(1-ethoxy-1-oxidanylidene-propan-2-yl)-(phenylmethoxycarbonylamino)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-[benzyloxycarbonylamino-(2-ethoxy-1-methyl-2-oxo-ethyl)amino]-4-(1,3-dioxoisoindolin-2-yl)-5-oxo-pentanoic acid CAS Name: 4-(1,3-dioxo-2-isoindolyl)-2-[(1-ethoxy-1-oxopropan-2-yl)-(phenylmethoxycarbonylamino)amino]-5-oxopentanoic acid IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-2-[(1-ethoxy-1-oxopropan-2-yl)-(phenylmethoxycarbonylamino)amino]-5-oxopentanoic acid Traditional Name: 2-[benzyloxycarbonylamino-(2-ethoxy-2-keto-1-methyl-ethyl)amino]-5-keto-4-phthalimido-valeric acid Formula: C26H27N3O9 MolecularWeight: 525.50728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N(C(CC(C=O)N1C(=O)C2=CC=CC=C2C1=O)C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C)N(C(CC(C=O)N1C(=O)C2=CC=CC=C2C1=O)C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O9/c1-3-37-25(35)16(2)29(27-26(36)38-15-17-9-5-4-6-10-17)21(24(33)34)13-18(14-30)28-22(31)19-11-7-8-12-20(19)23(28)32/h4-12,14,16,18,21H,3,13,15H2,1-2H3,(H,27,36)(H,33,34)