(4-butoxyphenyl)sulfonyl 2-azanyl-3-methyl-3-(2-oxidanylpropylsulfanyl)butanoate

Systemtic Name: (4-butoxyphenyl)sulfonyl 2-azanyl-3-methyl-3-(2-oxidanylpropylsulfanyl)butanoate Openeye Name: (4-butoxyphenyl)sulfonyl 2-amino-3-(2-hydroxypropylsulfanyl)-3-methyl-butanoate CAS Name: 2-amino-3-(2-hydroxypropylthio)-3-methylbutanoic acid (4-butoxyphenyl)sulfonyl ester IUPAC Name: (4-butoxyphenyl)sulfonyl 2-amino-3-(2-hydroxypropylsulfanyl)-3-methylbutanoate Traditional Name: 2-amino-3-(2-hydroxypropylthio)-3-methyl-butyric acid (4-butoxyphenyl)sulfonyl ester Formula: C18H29NO6S2 MolecularWeight: 419.55596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)OC(=O)C(C(C)(C)SCC(C)O)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)OC(=O)C(C(C)(C)SCC(C)O)N

InChI

InChI=1S/C18H29NO6S2/c1-5-6-11-24-14-7-9-15(10-8-14)27(22,23)25-17(21)16(19)18(3,4)26-12-13(2)20/h7-10,13,16,20H,5-6,11-12,19H2,1-4H3