[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chloranyl-phenyl] (2S)-2-[[(2S)-2-azanyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-4-methyl-pentanoate

Systemtic Name: [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chloranyl-phenyl] (2S)-2-[[(2S)-2-azanyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-4-methyl-pentanoate Openeye Name: [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chloro-phenyl] (2S)-2-[[(2S)-2-amino-6-(tert-butoxycarbonylamino)hexanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-amino-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]-4-methylpentanoic acid [2-[[3,5-bis(trifluoromethyl)anilino]-oxomethyl]-4-chlorophenyl] ester IUPAC Name: [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] (2S)-2-[[(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-amino-6-(tert-butoxycarbonylamino)hexanoyl]amino]-4-methyl-valeric acid [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chloro-phenyl] ester Formula: C32H39ClF6N4O6 MolecularWeight: 725.118679

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC1=C(C=C(C=C1)Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)NC(=O)C(CCCCNC(=O)OC(C)(C)C)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC1=C(C=C(C=C1)Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)N

InChI

InChI=1S/C32H39ClF6N4O6/c1-17(2)12-24(43-27(45)23(40)8-6-7-11-41-29(47)49-30(3,4)5)28(46)48-25-10-9-20(33)16-22(25)26(44)42-21-14-18(31(34,35)36)13-19(15-21)32(37,38)39/h9-10,13-17,23-24H,6-8,11-12,40H2,1-5H3,(H,41,47)(H,42,44)(H,43,45)/t23-,24-/m0/s1