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

Systemtic Name: 3-[[2-[(3,5-dimethylphenyl)carbamoylamino]-3-methoxy-3-oxidanylidene-propyl]sulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[[2-[(3,5-dimethylphenyl)carbamoylamino]-3-methoxy-3-oxo-propyl]sulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[[2-[[(3,5-dimethylanilino)-oxomethyl]amino]-3-methoxy-3-oxopropyl]thio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[[2-[(3,5-dimethylphenyl)carbamoylamino]-3-methoxy-3-oxopropyl]sulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[[[2-[(3,5-dimethylphenyl)carbamoylamino]-3-keto-3-methoxy-propyl]thio]methyl]-4-keto-4-(3-pyridyl)butyric acid Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)NC(CSCC(CC(=O)O)C(=O)C2=CN=CC=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)NC(CSCC(CC(=O)O)C(=O)C2=CN=CC=C2)C(=O)OC)C

InChI

InChI=1S/C23H27N3O6S/c1-14-7-15(2)9-18(8-14)25-23(31)26-19(22(30)32-3)13-33-12-17(10-20(27)28)21(29)16-5-4-6-24-11-16/h4-9,11,17,19H,10,12-13H2,1-3H3,(H,27,28)(H2,25,26,31)