4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-[(6-methoxypyridin-3-yl)carbamothioylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-[(6-methoxypyridin-3-yl)carbamothioylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]-3-[(6-methoxy-3-pyridyl)carbamothioylamino]-4-oxo-butanoic acid CAS Name: 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-3-[[[(6-methoxy-3-pyridinyl)amino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-3-[(6-methoxypyridin-3-yl)carbamothioylamino]-4-oxobutanoic acid Traditional Name: 4-[(1-benzyl-2-keto-2-methoxy-ethyl)amino]-4-keto-3-[(6-methoxy-3-pyridyl)thiocarbamoylamino]butyric acid Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)NC(=S)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC1=NC=C(C=C1)NC(=S)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H24N4O6S/c1-30-17-9-8-14(12-22-17)23-21(32)25-15(11-18(26)27)19(28)24-16(20(29)31-2)10-13-6-4-3-5-7-13/h3-9,12,15-16H,10-11H2,1-2H3,(H,24,28)(H,26,27)(H2,23,25,32)