(2S)-6-(2-benzamidoethanoylamino)-2-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]hexanoic acid

Systemtic Name: (2S)-6-(2-benzamidoethanoylamino)-2-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]hexanoic acid Openeye Name: (2S)-6-[(2-benzamidoacetyl)amino]-2-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]hexanoic acid CAS Name: (2S)-6-[(2-benzamido-1-oxoethyl)amino]-2-[[oxo-[[4-(trifluoromethyl)phenyl]methoxy]methyl]amino]hexanoic acid IUPAC Name: (2S)-6-[(2-benzamidoacetyl)amino]-2-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]hexanoic acid Traditional Name: (2S)-6-(hippuroylamino)-2-[[4-(trifluoromethyl)benzyl]oxycarbonylamino]hexanoic acid Formula: C24H26F3N3O6 MolecularWeight: 509.47495

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC(=O)NCCCCC(C(=O)O)NC(=O)OCC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C24H26F3N3O6/c25-24(26,27)18-11-9-16(10-12-18)15-36-23(35)30-19(22(33)34)8-4-5-13-28-20(31)14-29-21(32)17-6-2-1-3-7-17/h1-3,6-7,9-12,19H,4-5,8,13-15H2,(H,28,31)(H,29,32)(H,30,35)(H,33,34)/t19-/m0/s1