ditert-butyl (2S)-2-[[4-[bis(2-methylsulfonyloxyethyl)amino]phenoxy]carbonylamino]pentanedioate

Systemtic Name: ditert-butyl (2S)-2-[[4-[bis(2-methylsulfonyloxyethyl)amino]phenoxy]carbonylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-[[4-[bis(2-methylsulfonyloxyethyl)amino]phenoxy]carbonylamino]pentanedioate CAS Name: (2S)-2-[[[4-[bis(2-methylsulfonyloxyethyl)amino]phenoxy]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[[4-[bis(2-methylsulfonyloxyethyl)amino]phenoxy]carbonylamino]pentanedioate Traditional Name: (2S)-2-[[4-[bis(2-methylsulfonyloxyethyl)amino]phenoxy]carbonylamino]glutaric acid ditert-butyl ester Formula: C26H42N2O12S2 MolecularWeight: 638.74788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)OC1=CC=C(C=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)OC1=CC=C(C=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C

InChI

InChI=1S/C26H42N2O12S2/c1-25(2,3)39-22(29)14-13-21(23(30)40-26(4,5)6)27-24(31)38-20-11-9-19(10-12-20)28(15-17-36-41(7,32)33)16-18-37-42(8,34)35/h9-12,21H,13-18H2,1-8H3,(H,27,31)/t21-/m0/s1