(2R)-2-azanyl-N-[(1S)-1-[2-[1-[(3S,4R)-4-[2,4-bis(fluoranyl)phenyl]-1-tert-butyl-pyrrolidin-3-yl]carbonylpiperidin-4-yl]-5-chloranyl-phenyl]ethyl]-4-methylsulfanyl-butanamide

Systemtic Name: (2R)-2-azanyl-N-[(1S)-1-[2-[1-[(3S,4R)-4-[2,4-bis(fluoranyl)phenyl]-1-tert-butyl-pyrrolidin-3-yl]carbonylpiperidin-4-yl]-5-chloranyl-phenyl]ethyl]-4-methylsulfanyl-butanamide Openeye Name: (2R)-2-amino-N-[(1S)-1-[2-[1-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-piperidyl]-5-chloro-phenyl]ethyl]-4-methylsulfanyl-butanamide CAS Name: (2R)-2-amino-N-[(1S)-1-[2-[1-[[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)-3-pyrrolidinyl]-oxomethyl]-4-piperidinyl]-5-chlorophenyl]ethyl]-4-(methylthio)butanamide IUPAC Name: (2R)-2-amino-N-[(1S)-1-[2-[1-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]ethyl]-4-methylsulfanylbutanamide Traditional Name: (2R)-2-amino-N-[(1S)-1-[2-[1-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-piperidyl]-5-chloro-phenyl]ethyl]-4-(methylthio)butyramide Formula: C33H45ClF2N4O2S MolecularWeight: 635.250806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)Cl)C2CCN(CC2)C(=O)C3CN(CC3C4=C(C=C(C=C4)F)F)C(C)(C)C)NC(=O)C(CCSC)N

Isomeric SMILES

C[C@@H](C1=C(C=CC(=C1)Cl)C2CCN(CC2)C(=O)[C@@H]3CN(C[C@H]3C4=C(C=C(C=C4)F)F)C(C)(C)C)NC(=O)[C@@H](CCSC)N

InChI

InChI=1S/C33H45ClF2N4O2S/c1-20(38-31(41)30(37)12-15-43-5)26-16-22(34)6-8-24(26)21-10-13-39(14-11-21)32(42)28-19-40(33(2,3)4)18-27(28)25-9-7-23(35)17-29(25)36/h6-9,16-17,20-21,27-28,30H,10-15,18-19,37H2,1-5H3,(H,38,41)/t20-,27-,28+,30+/m0/s1