3-[[2-[(4-ethyl-3,5-dimethoxy-phenyl)carbamoylamino]-3-methoxy-3-oxidanylidene-propyl]sulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid

Systemtic Name: 3-[[2-[(4-ethyl-3,5-dimethoxy-phenyl)carbamoylamino]-3-methoxy-3-oxidanylidene-propyl]sulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[[2-[(4-ethyl-3,5-dimethoxy-phenyl)carbamoylamino]-3-methoxy-3-oxo-propyl]sulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[[2-[[(4-ethyl-3,5-dimethoxyanilino)-oxomethyl]amino]-3-methoxy-3-oxopropyl]thio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[[2-[(4-ethyl-3,5-dimethoxyphenyl)carbamoylamino]-3-methoxy-3-oxopropyl]sulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[[[2-[(4-ethyl-3,5-dimethoxy-phenyl)carbamoylamino]-3-keto-3-methoxy-propyl]thio]methyl]-4-keto-4-(3-pyridyl)butyric acid Formula: C25H31N3O8S MolecularWeight: 533.59394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1OC)NC(=O)NC(CSCC(CC(=O)O)C(=O)C2=CN=CC=C2)C(=O)OC)OC

Isomeric SMILES

CCC1=C(C=C(C=C1OC)NC(=O)NC(CSCC(CC(=O)O)C(=O)C2=CN=CC=C2)C(=O)OC)OC

InChI

InChI=1S/C25H31N3O8S/c1-5-18-20(34-2)10-17(11-21(18)35-3)27-25(33)28-19(24(32)36-4)14-37-13-16(9-22(29)30)23(31)15-7-6-8-26-12-15/h6-8,10-12,16,19H,5,9,13-14H2,1-4H3,(H,29,30)(H2,27,28,33)