2-[2-[2-methyl-3-oxamoyl-1-(phenylmethyl)pyrrolo[3,2-c]pyridin-4-yl]oxyethanoylamino]butanedioic acid

Systemtic Name: 2-[2-[2-methyl-3-oxamoyl-1-(phenylmethyl)pyrrolo[3,2-c]pyridin-4-yl]oxyethanoylamino]butanedioic acid Openeye Name: 2-[[2-(1-benzyl-2-methyl-3-oxamoyl-pyrrolo[3,2-c]pyridin-4-yl)oxyacetyl]amino]butanedioic acid CAS Name: 2-[[2-[[2-methyl-3-oxamoyl-1-(phenylmethyl)-4-pyrrolo[3,2-c]pyridinyl]oxy]-1-oxoethyl]amino]butanedioic acid IUPAC Name: 2-[[2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetyl]amino]butanedioic acid Traditional Name: 2-[[2-(1-benzyl-2-methyl-3-oxamoyl-pyrrolo[3,2-c]pyridin-4-yl)oxyacetyl]amino]succinic acid Formula: C23H22N4O8 MolecularWeight: 482.44278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CN=C2OCC(=O)NC(CC(=O)O)C(=O)O)C(=O)C(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CN=C2OCC(=O)NC(CC(=O)O)C(=O)O)C(=O)C(=O)N

InChI

InChI=1S/C23H22N4O8/c1-12-18(20(31)21(24)32)19-15(27(12)10-13-5-3-2-4-6-13)7-8-25-22(19)35-11-16(28)26-14(23(33)34)9-17(29)30/h2-8,14H,9-11H2,1H3,(H2,24,32)(H,26,28)(H,29,30)(H,33,34)