O1-tert-butyl O4-ethyl (2R,3R)-2-methyl-3-[(4-methylphenyl)sulfonylamino]-2-propanoyl-butanedioate

Systemtic Name: O1-tert-butyl O4-ethyl (2R,3R)-2-methyl-3-[(4-methylphenyl)sulfonylamino]-2-propanoyl-butanedioate Openeye Name: O1-tert-butyl O4-ethyl (2R,3R)-2-methyl-2-propanoyl-3-(p-tolylsulfonylamino)butanedioate CAS Name: (2R,3R)-2-methyl-3-[(4-methylphenyl)sulfonylamino]-2-(1-oxopropyl)butanedioic acid O1-tert-butyl ester O4-ethyl ester IUPAC Name: 1-O-tert-butyl 4-O-ethyl (2R,3R)-2-methyl-3-[(4-methylphenyl)sulfonylamino]-2-propanoylbutanedioate Traditional Name: (2R,3R)-2-methyl-2-propionyl-3-(tosylamino)succinic acid O1-tert-butyl ester O4-ethyl ester Formula: C21H31NO7S MolecularWeight: 441.53834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)(C(C(=O)OCC)NS(=O)(=O)C1=CC=C(C=C1)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(=O)[C@@](C)([C@H](C(=O)OCC)NS(=O)(=O)C1=CC=C(C=C1)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31NO7S/c1-8-16(23)21(7,19(25)29-20(4,5)6)17(18(24)28-9-2)22-30(26,27)15-12-10-14(3)11-13-15/h10-13,17,22H,8-9H2,1-7H3/t17-,21-/m0/s1