(2S)-2-[[4-[(4-chlorophenyl)sulfonylcarbamoyl]phenyl]carbonylamino]-6-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanoylamino]hexanoic acid

Systemtic Name: (2S)-2-[[4-[(4-chlorophenyl)sulfonylcarbamoyl]phenyl]carbonylamino]-6-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanoylamino]hexanoic acid Openeye Name: (2S)-2-[[4-[(4-chlorophenyl)sulfonylcarbamoyl]benzoyl]amino]-6-[[2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetyl]amino]hexanoic acid CAS Name: (2S)-2-[[[4-[[(4-chlorophenyl)sulfonylamino]-oxomethyl]phenyl]-oxomethyl]amino]-6-[[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxoethyl]amino]hexanoic acid IUPAC Name: (2S)-2-[[4-[(4-chlorophenyl)sulfonylcarbamoyl]benzoyl]amino]-6-[[2-(3,5-ditert-butyl-4-hydroxyphenyl)acetyl]amino]hexanoic acid Traditional Name: (2S)-2-[[4-[(4-chlorophenyl)sulfonylcarbamoyl]benzoyl]amino]-6-[[2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetyl]amino]hexanoic acid Formula: C36H44ClN3O8S MolecularWeight: 714.26786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)NCCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C36H44ClN3O8S/c1-35(2,3)27-19-22(20-28(31(27)42)36(4,5)6)21-30(41)38-18-8-7-9-29(34(45)46)39-32(43)23-10-12-24(13-11-23)33(44)40-49(47,48)26-16-14-25(37)15-17-26/h10-17,19-20,29,42H,7-9,18,21H2,1-6H3,(H,38,41)(H,39,43)(H,40,44)(H,45,46)/t29-/m0/s1