4-[tert-butylsulfanylmethyl(methoxycarbonyl)amino]-3-[3-(4-methoxy-3-oxidanyl-phenyl)propylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[tert-butylsulfanylmethyl(methoxycarbonyl)amino]-3-[3-(4-methoxy-3-oxidanyl-phenyl)propylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[tert-butylsulfanylmethyl(methoxycarbonyl)amino]-3-[3-(3-hydroxy-4-methoxy-phenyl)propylamino]-4-oxo-butanoic acid CAS Name: 4-[(tert-butylthio)methyl-methoxycarbonylamino]-3-[3-(3-hydroxy-4-methoxyphenyl)propylamino]-4-oxobutanoic acid IUPAC Name: 4-[tert-butylsulfanylmethyl(methoxycarbonyl)amino]-3-[3-(3-hydroxy-4-methoxyphenyl)propylamino]-4-oxobutanoic acid Traditional Name: 4-[(tert-butylthio)methyl-carbomethoxy-amino]-3-[3-(3-hydroxy-4-methoxy-phenyl)propylamino]-4-keto-butyric acid Formula: C21H32N2O7S MolecularWeight: 456.55298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCN(C(=O)C(CC(=O)O)NCCCC1=CC(=C(C=C1)OC)O)C(=O)OC

Isomeric SMILES

CC(C)(C)SCN(C(=O)C(CC(=O)O)NCCCC1=CC(=C(C=C1)OC)O)C(=O)OC

InChI

InChI=1S/C21H32N2O7S/c1-21(2,3)31-13-23(20(28)30-5)19(27)15(12-18(25)26)22-10-6-7-14-8-9-17(29-4)16(24)11-14/h8-9,11,15,22,24H,6-7,10,12-13H2,1-5H3,(H,25,26)