rel-2-[[[(1-Methylethyl)amino]carbonyl]amino]-N-[2-[[(1R,2S)-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide

CAS Registry Number®

445479-97-0
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CAS Name

rel-2-[[[(1-Methylethyl)amino]carbonyl]amino]-N-[2-[[(1R,2S)-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide

Molecular Formula

C28H34F3N5O4S

Molecular Mass

593.66

Cite this Page

rel-2-[[[(1-Methylethyl)amino]carbonyl]amino]-N-[2-[[(1R,2S)-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=445479-97-0 (retrieved 2024-09-10) (CAS RN: 445479-97-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C28H34F3N5O4S/c1-16(2)33-27(40)36-21-13-10-18(28(29,30)31)14-20(21)26(39)32-15-24(37)34-22-6-4-5-7-23(22)35-25(38)17-8-11-19(41-3)12-9-17/h8-14,16,22-23H,4-7,15H2,1-3H3,(H,32,39)(H,34,37)(H,35,38)(H2,33,36,40)/t22-,23+/s2

InChIKey

InChIKey=IBPXYDUJQWENPM-VUEPYQETNA-N

SMILES

C(NCC(N[C@@H]1[C@H](NC(=O)C2=CC=C(SC)C=C2)CCCC1)=O)(=O)C3=C(NC(NC(C)C)=O)C=CC(C(F)(F)F)=C3

Canonical SMILES

O=C(NC1=CC=C(C=C1C(=O)NCC(=O)NC2CCCCC2NC(=O)C3=CC=C(SC)C=C3)C(F)(F)F)NC(C)C

Other Names for this Substance

  • Benzamide, 2-[[[(1-methylethyl)amino]carbonyl]amino]-N-[2-[[(1R,2S)-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)-, rel-
  • rel-2-[[[(1-Methylethyl)amino]carbonyl]amino]-N-[2-[[(1R,2S)-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
  • 2-[(Isopropylaminocarbonyl)amino]-N-[2-[[cis-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
  • BMS CCR 2-22