2-[2-[6-oxidanylidene-5-(phenylmethoxycarbonylamino)-2-pyridin-3-yl-pyrimidin-1-yl]ethanoylamino]butanedioic acid

Systemtic Name: 2-[2-[6-oxidanylidene-5-(phenylmethoxycarbonylamino)-2-pyridin-3-yl-pyrimidin-1-yl]ethanoylamino]butanedioic acid Openeye Name: 2-[[2-[5-(benzyloxycarbonylamino)-6-oxo-2-(3-pyridyl)pyrimidin-1-yl]acetyl]amino]butanedioic acid CAS Name: 2-[[1-oxo-2-[6-oxo-5-(phenylmethoxycarbonylamino)-2-(3-pyridinyl)-1-pyrimidinyl]ethyl]amino]butanedioic acid IUPAC Name: 2-[[2-[6-oxo-5-(phenylmethoxycarbonylamino)-2-pyridin-3-ylpyrimidin-1-yl]acetyl]amino]butanedioic acid Traditional Name: 2-[[2-[5-(benzyloxycarbonylamino)-6-keto-2-(3-pyridyl)pyrimidin-1-yl]acetyl]amino]succinic acid Formula: C23H21N5O8 MolecularWeight: 495.44154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CN=C(N(C2=O)CC(=O)NC(CC(=O)O)C(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CN=C(N(C2=O)CC(=O)NC(CC(=O)O)C(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C23H21N5O8/c29-18(26-16(22(33)34)9-19(30)31)12-28-20(15-7-4-8-24-10-15)25-11-17(21(28)32)27-23(35)36-13-14-5-2-1-3-6-14/h1-8,10-11,16H,9,12-13H2,(H,26,29)(H,27,35)(H,30,31)(H,33,34)