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이름: Compound ( 15a )

IUPAC: 9H-fluoren-9-ylmethyl N-[(2S)-1-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]-5-[[[(2-methylpropan-2-yl)oxyamino]-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-1-oxopentan-2-yl]carbamate

SMILES: Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)NC(=O)[C@H](CCCNC(=NS(=O)(=O)c3c(C)c(C)c4c(c3C)CC(C)(C)O4)NOC(C)(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)cc1

Canonical SMILES: CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)NC(=O)C(CCCN=C(NOC(C)(C)C)NS(=O)(=O)C4=C(C5=C(C(=C4C)C)OC(C5)(C)C)C)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68)C(F)(F)F

분자식: C55H60F3N7O9S2

분자량: 1084.20

InChIKey: NHEACLKMIVONBB-GWHBCOKCSA-N

InChI: InChI=1S/C55H60F3N7O9S2/c1-32-20-22-36(23-21-32)46-29-47(55(56,57)58)61-65(46)37-24-26-38(27-25-37)75(68,69)63-50(66)45(60-52(67)72-31-44-41-17-12-10-15-39(41)40-16-11-13-18-42(40)44)19-14-28-59-51(62-74-53(5,6)7)64-76(70,71)49-34(3)33(2)48-43(35(49)4)30-54(8,9)73-48/h10-13,15-18,20-27,29,44-45H,14,19,28,30-31H2,1-9H3,(H,60,67)(H,63,66)(H2,59,62,64)/t45-/m0/s1

PubChem CID: 86708284 →

동의어

NHEACLKMIVONBB-GWHBCOKCSA-N(S)-(9H-Fluoren-9-yl)methyl (5-(3-(tert-butoxy)-2-((2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl)guanidino)-1-oxo-1-(4-(5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenylsulfonamido)pentan-2-yl)carbamate

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