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

Systemtic Name: ditert-butyl (2S)-2-[(4-sulfanylphenyl)carbonylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-[(4-sulfanylbenzoyl)amino]pentanedioate CAS Name: (2S)-2-[[(4-mercaptophenyl)-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[(4-sulfanylbenzoyl)amino]pentanedioate Traditional Name: (2S)-2-[(4-mercaptobenzoyl)amino]glutaric acid ditert-butyl ester Formula: C20H29NO5S MolecularWeight: 395.51296

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)C1=CC=C(C=C1)S

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO5S/c1-19(2,3)25-16(22)12-11-15(18(24)26-20(4,5)6)21-17(23)13-7-9-14(27)10-8-13/h7-10,15,27H,11-12H2,1-6H3,(H,21,23)/t15-/m0/s1