ditert-butyl (3S)-2-[bis(2-methylpropyl)carbamoylsulfanyl]-3-oxidanyl-butanedioate

Systemtic Name: ditert-butyl (3S)-2-[bis(2-methylpropyl)carbamoylsulfanyl]-3-oxidanyl-butanedioate Openeye Name: ditert-butyl (3S)-2-(diisobutylcarbamoylsulfanyl)-3-hydroxy-butanedioate CAS Name: (3S)-2-[[[bis(2-methylpropyl)amino]-oxomethyl]thio]-3-hydroxybutanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (3S)-2-[bis(2-methylpropyl)carbamoylsulfanyl]-3-hydroxybutanedioate Traditional Name: (3S)-2-(diisobutylcarbamoylthio)-3-hydroxy-succinic acid ditert-butyl ester Formula: C21H39NO6S MolecularWeight: 433.60246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)SC(C(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN(CC(C)C)C(=O)SC([C@H](C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H39NO6S/c1-13(2)11-22(12-14(3)4)19(26)29-16(18(25)28-21(8,9)10)15(23)17(24)27-20(5,6)7/h13-16,23H,11-12H2,1-10H3/t15-,16?/m1/s1