N-[2-[[2-[[(2S,3S)-1-[butan-2-yl(methyl)amino]-3-oxidanyl-hexan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoyl]-4-(trifluoromethyl)phenyl]azetidine-1-carboxamide

Systemtic Name: N-[2-[[2-[[(2S,3S)-1-[butan-2-yl(methyl)amino]-3-oxidanyl-hexan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoyl]-4-(trifluoromethyl)phenyl]azetidine-1-carboxamide Openeye Name: N-[2-[[2-[[(1S,2S)-2-hydroxy-1-[[methyl(sec-butyl)amino]methyl]pentyl]amino]-2-oxo-ethyl]carbamoyl]-4-(trifluoromethyl)phenyl]azetidine-1-carboxamide CAS Name: N-[2-[[[2-[[(2S,3S)-1-[butan-2-yl(methyl)amino]-3-hydroxyhexan-2-yl]amino]-2-oxoethyl]amino]-oxomethyl]-4-(trifluoromethyl)phenyl]-1-azetidinecarboxamide IUPAC Name: N-[2-[[2-[[(2S,3S)-1-[butan-2-yl(methyl)amino]-3-hydroxyhexan-2-yl]amino]-2-oxoethyl]carbamoyl]-4-(trifluoromethyl)phenyl]azetidine-1-carboxamide Traditional Name: N-[2-[[2-[[(1S,2S)-2-hydroxy-1-[[methyl(sec-butyl)amino]methyl]pentyl]amino]-2-keto-ethyl]carbamoyl]-4-(trifluoromethyl)phenyl]azetidine-1-carboxamide Formula: C25H38F3N5O4 MolecularWeight: 529.59553

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CN(C)C(C)CC)NC(=O)CNC(=O)C1=C(C=CC(=C1)C(F)(F)F)NC(=O)N2CCC2)O

Isomeric SMILES

CCC[C@@H]([C@H](CN(C)C(C)CC)NC(=O)CNC(=O)C1=C(C=CC(=C1)C(F)(F)F)NC(=O)N2CCC2)O

InChI

InChI=1S/C25H38F3N5O4/c1-5-8-21(34)20(15-32(4)16(3)6-2)30-22(35)14-29-23(36)18-13-17(25(26,27)28)9-10-19(18)31-24(37)33-11-7-12-33/h9-10,13,16,20-21,34H,5-8,11-12,14-15H2,1-4H3,(H,29,36)(H,30,35)(H,31,37)/t16?,20-,21-/m0/s1