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

Systemtic Name: 3-[[3-methoxy-2-[(2-methoxyphenyl)carbamoylamino]-3-oxidanylidene-propyl]sulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[[3-methoxy-2-[(2-methoxyphenyl)carbamoylamino]-3-oxo-propyl]sulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[[3-methoxy-2-[[(2-methoxyanilino)-oxomethyl]amino]-3-oxopropyl]thio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[[3-methoxy-2-[(2-methoxyphenyl)carbamoylamino]-3-oxopropyl]sulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 4-keto-3-[[[3-keto-3-methoxy-2-[(2-methoxyphenyl)carbamoylamino]propyl]thio]methyl]-4-(3-pyridyl)butyric acid Formula: C22H25N3O7S MolecularWeight: 475.5148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)NC(CSCC(CC(=O)O)C(=O)C2=CN=CC=C2)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1NC(=O)NC(CSCC(CC(=O)O)C(=O)C2=CN=CC=C2)C(=O)OC

InChI

InChI=1S/C22H25N3O7S/c1-31-18-8-4-3-7-16(18)24-22(30)25-17(21(29)32-2)13-33-12-15(10-19(26)27)20(28)14-6-5-9-23-11-14/h3-9,11,15,17H,10,12-13H2,1-2H3,(H,26,27)(H2,24,25,30)