ditert-butyl (2S)-2-[[4-(2-azanylethanoylamino)phenyl]carbonylamino]pentanedioate

Systemtic Name: ditert-butyl (2S)-2-[[4-(2-azanylethanoylamino)phenyl]carbonylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-[[4-[(2-aminoacetyl)amino]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[(2-amino-1-oxoethyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[[4-[(2-aminoacetyl)amino]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-(glycylamino)benzoyl]amino]glutaric acid ditert-butyl ester Formula: C22H33N3O6 MolecularWeight: 435.51392

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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)CN

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)CN

InChI

InChI=1S/C22H33N3O6/c1-21(2,3)30-18(27)12-11-16(20(29)31-22(4,5)6)25-19(28)14-7-9-15(10-8-14)24-17(26)13-23/h7-10,16H,11-13,23H2,1-6H3,(H,24,26)(H,25,28)/t16-/m0/s1