ditert-butyl (2S)-2-[(4-aminophenyl)sulfanylcarbonylamino]pentanedioate

Systemtic Name: ditert-butyl (2S)-2-[(4-aminophenyl)sulfanylcarbonylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-[(4-aminophenyl)sulfanylcarbonylamino]pentanedioate CAS Name: (2S)-2-[[[(4-aminophenyl)thio]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[(4-aminophenyl)sulfanylcarbonylamino]pentanedioate Traditional Name: (2S)-2-[[(4-aminophenyl)thio]carbonylamino]glutaric acid ditert-butyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)SC1=CC=C(C=C1)N

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)SC1=CC=C(C=C1)N

InChI

InChI=1S/C20H30N2O5S/c1-19(2,3)26-16(23)12-11-15(17(24)27-20(4,5)6)22-18(25)28-14-9-7-13(21)8-10-14/h7-10,15H,11-12,21H2,1-6H3,(H,22,25)/t15-/m0/s1