(2S)-2-[[2-[[2,6-bis(chloranyl)-4-(trifluoromethyloxy)phenyl]carbamoylamino]-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]carbonylamino]-2-cyclohexyl-ethanoic acid

Systemtic Name: (2S)-2-[[2-[[2,6-bis(chloranyl)-4-(trifluoromethyloxy)phenyl]carbamoylamino]-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]carbonylamino]-2-cyclohexyl-ethanoic acid Openeye Name: (2S)-2-cyclohexyl-2-[[2-[[2,6-dichloro-4-(trifluoromethoxy)phenyl]carbamoylamino]-4-[4-(pyrrolidin-1-ylmethyl)phenyl]benzoyl]amino]acetic acid CAS Name: (2S)-2-cyclohexyl-2-[[[2-[[[2,6-dichloro-4-(trifluoromethoxy)anilino]-oxomethyl]amino]-4-[4-(1-pyrrolidinylmethyl)phenyl]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: (2S)-2-cyclohexyl-2-[[2-[[2,6-dichloro-4-(trifluoromethoxy)phenyl]carbamoylamino]-4-[4-(pyrrolidin-1-ylmethyl)phenyl]benzoyl]amino]acetic acid Traditional Name: (2S)-2-cyclohexyl-2-[[2-[[2,6-dichloro-4-(trifluoromethoxy)phenyl]carbamoylamino]-4-[4-(pyrrolidinomethyl)phenyl]benzoyl]amino]acetic acid Formula: C34H35Cl2F3N4O5 MolecularWeight: 707.56671

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)O)NC(=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)CN4CCCC4)NC(=O)NC5=C(C=C(C=C5Cl)OC(F)(F)F)Cl

Isomeric SMILES

C1CCC(CC1)[C@@H](C(=O)O)NC(=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)CN4CCCC4)NC(=O)NC5=C(C=C(C=C5Cl)OC(F)(F)F)Cl

InChI

InChI=1S/C34H35Cl2F3N4O5/c35-26-17-24(48-34(37,38)39)18-27(36)30(26)42-33(47)40-28-16-23(21-10-8-20(9-11-21)19-43-14-4-5-15-43)12-13-25(28)31(44)41-29(32(45)46)22-6-2-1-3-7-22/h8-13,16-18,22,29H,1-7,14-15,19H2,(H,41,44)(H,45,46)(H2,40,42,47)/t29-/m0/s1