ditert-butyl (2S)-2-[[4-[3-[2,3-bis(oxidanyl)propoxy]propanoylamino]phenyl]carbonylamino]pentanedioate

Systemtic Name: ditert-butyl (2S)-2-[[4-[3-[2,3-bis(oxidanyl)propoxy]propanoylamino]phenyl]carbonylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-[[4-[3-(2,3-dihydroxypropoxy)propanoylamino]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[[3-(2,3-dihydroxypropoxy)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[[4-[3-(2,3-dihydroxypropoxy)propanoylamino]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-(3-glyceryloxypropanoylamino)benzoyl]amino]glutaric acid ditert-butyl ester Formula: C26H40N2O9 MolecularWeight: 524.6038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)C1=CC=C(C=C1)NC(=O)CCOCC(CO)O

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=CC=C(C=C1)NC(=O)CCOCC(CO)O

InChI

InChI=1S/C26H40N2O9/c1-25(2,3)36-22(32)12-11-20(24(34)37-26(4,5)6)28-23(33)17-7-9-18(10-8-17)27-21(31)13-14-35-16-19(30)15-29/h7-10,19-20,29-30H,11-16H2,1-6H3,(H,27,31)(H,28,33)/t19?,20-/m0/s1