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

Systemtic Name: N-[(2S,3R)-4-[[3,5-bis(chloranyl)phenyl]methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-methoxy-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]carbonyl-benzamide Openeye Name: N-[(1S,2R)-1-benzyl-3-[(3,5-dichlorophenyl)methylamino]-2-hydroxy-propyl]-3-methoxy-5-[(2R)-2-(4-methylthiazol-2-yl)pyrrolidine-1-carbonyl]benzamide CAS Name: N-[(2S,3R)-4-[(3,5-dichlorophenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-3-methoxy-5-[[(2R)-2-(4-methyl-2-thiazolyl)-1-pyrrolidinyl]-oxomethyl]benzamide IUPAC Name: N-[(2S,3R)-4-[(3,5-dichlorophenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-3-methoxy-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide Traditional Name: N-[(1S,2R)-1-benzyl-3-[(3,5-dichlorobenzyl)amino]-2-hydroxy-propyl]-3-methoxy-5-[(2R)-2-(4-methylthiazol-2-yl)pyrrolidine-1-carbonyl]benzamide Formula: C34H36Cl2N4O4S MolecularWeight: 667.64504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C2CCCN2C(=O)C3=CC(=CC(=C3)OC)C(=O)NC(CC4=CC=CC=C4)C(CNCC5=CC(=CC(=C5)Cl)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C34H36Cl2N4O4S/c1-21-20-45-33(38-21)30-9-6-10-40(30)34(43)25-14-24(15-28(16-25)44-2)32(42)39-29(13-22-7-4-3-5-8-22)31(41)19-37-18-23-11-26(35)17-27(36)12-23/h3-5,7-8,11-12,14-17,20,29-31,37,41H,6,9-10,13,18-19H2,1-2H3,(H,39,42)/t29-,30+,31+/m0/s1