N-[2-[[(2S,3S)-1-[(2,4-dimethylphenyl)methylamino]-3-oxidanyl-hexan-2-yl]amino]-2-oxidanylidene-ethyl]-2-(methylcarbamoylamino)-5-(trifluoromethyl)benzamide

Systemtic Name: N-[2-[[(2S,3S)-1-[(2,4-dimethylphenyl)methylamino]-3-oxidanyl-hexan-2-yl]amino]-2-oxidanylidene-ethyl]-2-(methylcarbamoylamino)-5-(trifluoromethyl)benzamide Openeye Name: N-[2-[[(1S,2S)-1-[[(2,4-dimethylphenyl)methylamino]methyl]-2-hydroxy-pentyl]amino]-2-oxo-ethyl]-2-(methylcarbamoylamino)-5-(trifluoromethyl)benzamide CAS Name: N-[2-[[(2S,3S)-1-[(2,4-dimethylphenyl)methylamino]-3-hydroxyhexan-2-yl]amino]-2-oxoethyl]-2-(methylcarbamoylamino)-5-(trifluoromethyl)benzamide IUPAC Name: N-[2-[[(2S,3S)-1-[(2,4-dimethylphenyl)methylamino]-3-hydroxyhexan-2-yl]amino]-2-oxoethyl]-2-(methylcarbamoylamino)-5-(trifluoromethyl)benzamide Traditional Name: N-[2-[[(1S,2S)-1-[[(2,4-dimethylbenzyl)amino]methyl]-2-hydroxy-pentyl]amino]-2-keto-ethyl]-2-(methylcarbamoylamino)-5-(trifluoromethyl)benzamide Formula: C27H36F3N5O4 MolecularWeight: 551.60105

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CNCC1=C(C=C(C=C1)C)C)NC(=O)CNC(=O)C2=C(C=CC(=C2)C(F)(F)F)NC(=O)NC)O

Isomeric SMILES

CCC[C@@H]([C@H](CNCC1=C(C=C(C=C1)C)C)NC(=O)CNC(=O)C2=C(C=CC(=C2)C(F)(F)F)NC(=O)NC)O

InChI

InChI=1S/C27H36F3N5O4/c1-5-6-23(36)22(14-32-13-18-8-7-16(2)11-17(18)3)34-24(37)15-33-25(38)20-12-19(27(28,29)30)9-10-21(20)35-26(39)31-4/h7-12,22-23,32,36H,5-6,13-15H2,1-4H3,(H,33,38)(H,34,37)(H2,31,35,39)/t22-,23-/m0/s1