(3S)-4-oxidanylidene-3-[2-[6-oxidanylidene-5-(phenylmethoxycarbonylamino)-2-thiophen-2-yl-pyrimidin-1-yl]ethanoylamino]butanoic acid

Systemtic Name: (3S)-4-oxidanylidene-3-[2-[6-oxidanylidene-5-(phenylmethoxycarbonylamino)-2-thiophen-2-yl-pyrimidin-1-yl]ethanoylamino]butanoic acid Openeye Name: (3S)-3-[[2-[5-(benzyloxycarbonylamino)-6-oxo-2-(2-thienyl)pyrimidin-1-yl]acetyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-oxo-3-[[1-oxo-2-[6-oxo-5-(phenylmethoxycarbonylamino)-2-thiophen-2-yl-1-pyrimidinyl]ethyl]amino]butanoic acid IUPAC Name: (3S)-4-oxo-3-[[2-[6-oxo-5-(phenylmethoxycarbonylamino)-2-thiophen-2-ylpyrimidin-1-yl]acetyl]amino]butanoic acid Traditional Name: (3S)-3-[[2-[5-(benzyloxycarbonylamino)-6-keto-2-(2-thienyl)pyrimidin-1-yl]acetyl]amino]-4-keto-butyric acid Formula: C22H20N4O7S MolecularWeight: 484.4818

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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)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CN=C(N(C2=O)CC(=O)N[C@@H](CC(=O)O)C=O)C3=CC=CS3

InChI

InChI=1S/C22H20N4O7S/c27-12-15(9-19(29)30)24-18(28)11-26-20(17-7-4-8-34-17)23-10-16(21(26)31)25-22(32)33-13-14-5-2-1-3-6-14/h1-8,10,12,15H,9,11,13H2,(H,24,28)(H,25,32)(H,29,30)/t15-/m0/s1