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

Systemtic Name: 3-(dimethylamino)-N-[(2S,3R)-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]carbonyl-benzamide Openeye Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]propyl]-3-(dimethylamino)-5-[(2R)-2-(4-methylthiazol-2-yl)pyrrolidine-1-carbonyl]benzamide CAS Name: 3-(dimethylamino)-N-[(2S,3R)-3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-phenylbutan-2-yl]-5-[[(2R)-2-(4-methyl-2-thiazolyl)-1-pyrrolidinyl]-oxomethyl]benzamide IUPAC Name: 3-(dimethylamino)-N-[(2S,3R)-3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-phenylbutan-2-yl]-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]propyl]-3-(dimethylamino)-5-[(2R)-2-(4-methylthiazol-2-yl)pyrrolidine-1-carbonyl]benzamide Formula: C37H45N5O4S MolecularWeight: 655.8493

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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(CNC(C)C5=CC(=CC=C5)OC)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](CN[C@@H](C)C5=CC(=CC=C5)OC)O

InChI

InChI=1S/C37H45N5O4S/c1-24-23-47-36(39-24)33-15-10-16-42(33)37(45)29-18-28(19-30(20-29)41(3)4)35(44)40-32(17-26-11-7-6-8-12-26)34(43)22-38-25(2)27-13-9-14-31(21-27)46-5/h6-9,11-14,18-21,23,25,32-34,38,43H,10,15-17,22H2,1-5H3,(H,40,44)/t25-,32-,33+,34+/m0/s1