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

Systemtic Name: tert-butyl (2S)-2-[[(2S)-2-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]-4-methyl-pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: tert-butyl (2S)-3-(4-benzyloxyphenyl)-2-[[(2S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-4-methyl-pentanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S)-2-[[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-4-methylpentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: (2S)-3-(4-benzoxyphenyl)-2-[[(2S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-4-methyl-pentanoyl]amino]propionic acid tert-butyl ester Formula: C34H39ClF3N3O5 MolecularWeight: 662.13877

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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)Cl)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)Cl)C(F)(F)F

InChI

InChI=1S/C34H39ClF3N3O5/c1-21(2)17-28(41-32(44)39-24-13-16-27(35)26(19-24)34(36,37)38)30(42)40-29(31(43)46-33(3,4)5)18-22-11-14-25(15-12-22)45-20-23-9-7-6-8-10-23/h6-16,19,21,28-29H,17-18,20H2,1-5H3,(H,40,42)(H2,39,41,44)/t28-,29-/m0/s1