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

Systemtic Name: 2-[2-[6-oxidanylidene-5-(phenylmethoxycarbonylamino)-2-thiophen-2-yl-pyrimidin-1-yl]ethanoylamino]butanedioic acid Openeye Name: 2-[[2-[5-(benzyloxycarbonylamino)-6-oxo-2-(2-thienyl)pyrimidin-1-yl]acetyl]amino]butanedioic acid CAS Name: 2-[[1-oxo-2-[6-oxo-5-(phenylmethoxycarbonylamino)-2-thiophen-2-yl-1-pyrimidinyl]ethyl]amino]butanedioic acid IUPAC Name: 2-[[2-[6-oxo-5-(phenylmethoxycarbonylamino)-2-thiophen-2-ylpyrimidin-1-yl]acetyl]amino]butanedioic acid Traditional Name: 2-[[2-[5-(benzyloxycarbonylamino)-6-keto-2-(2-thienyl)pyrimidin-1-yl]acetyl]amino]succinic acid Formula: C22H20N4O8S MolecularWeight: 500.4812

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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=CC=CS3

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=CC=CS3

InChI

InChI=1S/C22H20N4O8S/c27-17(24-14(21(31)32)9-18(28)29)11-26-19(16-7-4-8-35-16)23-10-15(20(26)30)25-22(33)34-12-13-5-2-1-3-6-13/h1-8,10,14H,9,11-12H2,(H,24,27)(H,25,33)(H,28,29)(H,31,32)