3-[[2-(cyclohexylcarbamoylamino)-3-methoxy-3-oxidanylidene-propyl]sulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid

Systemtic Name: 3-[[2-(cyclohexylcarbamoylamino)-3-methoxy-3-oxidanylidene-propyl]sulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[[2-(cyclohexylcarbamoylamino)-3-methoxy-3-oxo-propyl]sulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[[2-[[(cyclohexylamino)-oxomethyl]amino]-3-methoxy-3-oxopropyl]thio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[[2-(cyclohexylcarbamoylamino)-3-methoxy-3-oxopropyl]sulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[[[2-(cyclohexylcarbamoylamino)-3-keto-3-methoxy-propyl]thio]methyl]-4-keto-4-(3-pyridyl)butyric acid Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC(CC(=O)O)C(=O)C1=CN=CC=C1)NC(=O)NC2CCCCC2

Isomeric SMILES

COC(=O)C(CSCC(CC(=O)O)C(=O)C1=CN=CC=C1)NC(=O)NC2CCCCC2

InChI

InChI=1S/C21H29N3O6S/c1-30-20(28)17(24-21(29)23-16-7-3-2-4-8-16)13-31-12-15(10-18(25)26)19(27)14-6-5-9-22-11-14/h5-6,9,11,15-17H,2-4,7-8,10,12-13H2,1H3,(H,25,26)(H2,23,24,29)