4-[[1-[1-cyclopropyl-5-[(2-methoxy-2-oxidanylidene-ethyl)carbamoyl]benzimidazol-2-yl]-3-methylsulfanyl-propyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[1-[1-cyclopropyl-5-[(2-methoxy-2-oxidanylidene-ethyl)carbamoyl]benzimidazol-2-yl]-3-methylsulfanyl-propyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[1-[1-cyclopropyl-5-[(2-methoxy-2-oxo-ethyl)carbamoyl]benzimidazol-2-yl]-3-methylsulfanyl-propyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[1-[1-cyclopropyl-5-[[(2-methoxy-2-oxoethyl)amino]-oxomethyl]-2-benzimidazolyl]-3-(methylthio)propyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-[1-cyclopropyl-5-[(2-methoxy-2-oxoethyl)carbamoyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]amino]-4-oxobutanoic acid Traditional Name: 4-[[1-[1-cyclopropyl-5-[(2-keto-2-methoxy-ethyl)carbamoyl]benzimidazol-2-yl]-3-(methylthio)propyl]amino]-4-keto-butyric acid Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=CC2=C(C=C1)N(C(=N2)C(CCSC)NC(=O)CCC(=O)O)C3CC3

Isomeric SMILES

COC(=O)CNC(=O)C1=CC2=C(C=C1)N(C(=N2)C(CCSC)NC(=O)CCC(=O)O)C3CC3

InChI

InChI=1S/C22H28N4O6S/c1-32-20(30)12-23-22(31)13-3-6-17-16(11-13)25-21(26(17)14-4-5-14)15(9-10-33-2)24-18(27)7-8-19(28)29/h3,6,11,14-15H,4-5,7-10,12H2,1-2H3,(H,23,31)(H,24,27)(H,28,29)