Catalog Number:
AG00IM8B
Chemical Name:
L-Leucine, 4-fluoro-N-[(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl]-, compd. with N-cyclohexylcyclohexanamine
CAS Number:
1064076-86-3
Molecular Formula:
C33H46F4N2O4S
Molecular Weight:
642.7880
MDL Number:
MFCD30533097
IUPAC Name:
N-cyclohexylcyclohexanamine;(2S)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanoic acid
InChI:
InChI=1S/C21H23F4NO4S.C12H23N/c1-20(2,22)12-17(19(27)28)26-18(21(23,24)25)15-6-4-13(5-7-15)14-8-10-16(11-9-14)31(3,29)30;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-11,17-18,26H,12H2,1-3H3,(H,27,28);11-13H,1-10H2/t17-,18-;/m0./s1
InChI Key:
XPOZLVHDSYOJLL-APTPAJQOSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.OC(=O)[C@H](CC(F)(C)C)N[C@H](C(F)(F)F)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)C
EC Number:
700-778-8
