N-[(2S,3R)-4-[[5-[1,1-bis(fluoranyl)ethyl]pyridin-3-yl]methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-(dimethylamino)-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]carbonyl-benzamide

Systemtic Name: N-[(2S,3R)-4-[[5-[1,1-bis(fluoranyl)ethyl]pyridin-3-yl]methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-(dimethylamino)-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]carbonyl-benzamide Openeye Name: N-[(1S,2R)-1-benzyl-3-[[5-(1,1-difluoroethyl)-3-pyridyl]methylamino]-2-hydroxy-propyl]-3-(dimethylamino)-5-[(2R)-2-(4-methylthiazol-2-yl)pyrrolidine-1-carbonyl]benzamide CAS Name: N-[(2S,3R)-4-[[5-(1,1-difluoroethyl)-3-pyridinyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-3-(dimethylamino)-5-[[(2R)-2-(4-methyl-2-thiazolyl)-1-pyrrolidinyl]-oxomethyl]benzamide IUPAC Name: N-[(2S,3R)-4-[[5-(1,1-difluoroethyl)pyridin-3-yl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-3-(dimethylamino)-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide Traditional Name: N-[(1S,2R)-1-benzyl-3-[[5-(1,1-difluoroethyl)-3-pyridyl]methylamino]-2-hydroxy-propyl]-3-(dimethylamino)-5-[(2R)-2-(4-methylthiazol-2-yl)pyrrolidine-1-carbonyl]benzamide Formula: C36H42F2N6O3S MolecularWeight: 676.818886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C2CCCN2C(=O)C3=CC(=CC(=C3)N(C)C)C(=O)NC(CC4=CC=CC=C4)C(CNCC5=CC(=CN=C5)C(C)(F)F)O

Isomeric SMILES

CC1=CSC(=N1)[C@H]2CCCN2C(=O)C3=CC(=CC(=C3)N(C)C)C(=O)N[C@@H](CC4=CC=CC=C4)[C@@H](CNCC5=CC(=CN=C5)C(C)(F)F)O

InChI

InChI=1S/C36H42F2N6O3S/c1-23-22-48-34(41-23)31-11-8-12-44(31)35(47)27-15-26(16-29(17-27)43(3)4)33(46)42-30(14-24-9-6-5-7-10-24)32(45)21-40-19-25-13-28(20-39-18-25)36(2,37)38/h5-7,9-10,13,15-18,20,22,30-32,40,45H,8,11-12,14,19,21H2,1-4H3,(H,42,46)/t30-,31+,32+/m0/s1