(3S)-3-[[(2S)-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxidanylidene-hexan-2-yl]carbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanoic acid

Systemtic Name: (3S)-3-[[(2S)-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxidanylidene-hexan-2-yl]carbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanoic acid Openeye Name: (3S)-3-[[(1S)-1-[methyl(o-tolylmethyl)carbamoyl]pentyl]carbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanoic acid CAS Name: (3S)-3-[[[[(2S)-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxohexan-2-yl]amino]-oxomethyl]amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid IUPAC Name: (3S)-3-[[(2S)-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxohexan-2-yl]carbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanoic acid Traditional Name: (3S)-3-[[(1S)-1-[methyl-(2-methylbenzyl)carbamoyl]pentyl]carbamoylamino]-3-[3-(trifluoromethyl)phenyl]propionic acid Formula: C26H32F3N3O4 MolecularWeight: 507.54519

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N(C)CC1=CC=CC=C1C)NC(=O)NC(CC(=O)O)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCCC[C@@H](C(=O)N(C)CC1=CC=CC=C1C)NC(=O)N[C@@H](CC(=O)O)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C26H32F3N3O4/c1-4-5-13-21(24(35)32(3)16-19-10-7-6-9-17(19)2)30-25(36)31-22(15-23(33)34)18-11-8-12-20(14-18)26(27,28)29/h6-12,14,21-22H,4-5,13,15-16H2,1-3H3,(H,33,34)(H2,30,31,36)/t21-,22-/m0/s1