2-[2-[2-methyl-6-oxidanylidene-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]ethanoylamino]butanedioic acid

Systemtic Name: 2-[2-[2-methyl-6-oxidanylidene-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]ethanoylamino]butanedioic acid Openeye Name: 2-[[2-[5-(benzyloxycarbonylamino)-2-methyl-6-oxo-pyrimidin-1-yl]acetyl]amino]butanedioic acid CAS Name: 2-[[2-[2-methyl-6-oxo-5-(phenylmethoxycarbonylamino)-1-pyrimidinyl]-1-oxoethyl]amino]butanedioic acid IUPAC Name: 2-[[2-[2-methyl-6-oxo-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetyl]amino]butanedioic acid Traditional Name: 2-[[2-[5-(benzyloxycarbonylamino)-6-keto-2-methyl-pyrimidin-1-yl]acetyl]amino]succinic acid Formula: C19H20N4O8 MolecularWeight: 432.3841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=O)N1CC(=O)NC(CC(=O)O)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=NC=C(C(=O)N1CC(=O)NC(CC(=O)O)C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H20N4O8/c1-11-20-8-14(22-19(30)31-10-12-5-3-2-4-6-12)17(27)23(11)9-15(24)21-13(18(28)29)7-16(25)26/h2-6,8,13H,7,9-10H2,1H3,(H,21,24)(H,22,30)(H,25,26)(H,28,29)