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

Systemtic Name: 3-[[3-methoxy-3-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)carbamoylamino]propyl]sulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[[3-methoxy-3-oxo-2-[(3,4,5-trimethoxyphenyl)carbamoylamino]propyl]sulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[[3-methoxy-3-oxo-2-[[oxo-(3,4,5-trimethoxyanilino)methyl]amino]propyl]thio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[[3-methoxy-3-oxo-2-[(3,4,5-trimethoxyphenyl)carbamoylamino]propyl]sulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 4-keto-3-[[[3-keto-3-methoxy-2-[(3,4,5-trimethoxyphenyl)carbamoylamino]propyl]thio]methyl]-4-(3-pyridyl)butyric acid Formula: C24H29N3O9S MolecularWeight: 535.56676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)NC(CSCC(CC(=O)O)C(=O)C2=CN=CC=C2)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)NC(CSCC(CC(=O)O)C(=O)C2=CN=CC=C2)C(=O)OC

InChI

InChI=1S/C24H29N3O9S/c1-33-18-9-16(10-19(34-2)22(18)35-3)26-24(32)27-17(23(31)36-4)13-37-12-15(8-20(28)29)21(30)14-6-5-7-25-11-14/h5-7,9-11,15,17H,8,12-13H2,1-4H3,(H,28,29)(H2,26,27,32)