tert-butyl (2S)-2-[[(2S)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: tert-butyl (2S)-3-(4-benzyloxyphenyl)-2-[[(2S)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S)-4-methyl-1-oxo-2-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]pentyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: (2S)-3-(4-benzoxyphenyl)-2-[[(2S)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]propionic acid tert-butyl ester Formula: C34H40F3N3O5 MolecularWeight: 627.69371

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)OC(C)(C)C)NC(=O)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)OC(C)(C)C)NC(=O)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C34H40F3N3O5/c1-22(2)19-28(40-32(43)38-26-15-13-25(14-16-26)34(35,36)37)30(41)39-29(31(42)45-33(3,4)5)20-23-11-17-27(18-12-23)44-21-24-9-7-6-8-10-24/h6-18,22,28-29H,19-21H2,1-5H3,(H,39,41)(H2,38,40,43)/t28-,29-/m0/s1