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

Systemtic Name: ditert-butyl (2S)-2-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonylamino]pentanedioate CAS Name: (2S)-2-[[[4-[bis(2-chloroethyl)amino]phenoxy]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonylamino]pentanedioate Traditional Name: (2S)-2-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonylamino]glutaric acid ditert-butyl ester Formula: C24H36Cl2N2O6 MolecularWeight: 519.45844

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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(CCCl)CCCl

Isomeric SMILES

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

InChI

InChI=1S/C24H36Cl2N2O6/c1-23(2,3)33-20(29)12-11-19(21(30)34-24(4,5)6)27-22(31)32-18-9-7-17(8-10-18)28(15-13-25)16-14-26/h7-10,19H,11-16H2,1-6H3,(H,27,31)/t19-/m0/s1