N-tert-butyl-3-[3-[[2-(2-isoquinolin-5-yloxyethanoylamino)-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

Systemtic Name: N-tert-butyl-3-[3-[[2-(2-isoquinolin-5-yloxyethanoylamino)-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide Openeye Name: N-tert-butyl-3-[2-hydroxy-3-[[2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-methylsulfanyl-propanoyl]amino]-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxamide CAS Name: N-tert-butyl-3-[2-hydroxy-3-[[2-[[2-(5-isoquinolinyloxy)-1-oxoethyl]amino]-3-(methylthio)-1-oxopropyl]amino]-1-oxo-4-phenylbutyl]-5,5-dimethyl-4-thiazolidinecarboxamide IUPAC Name: N-tert-butyl-3-[2-hydroxy-3-[[2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylsulfanylpropanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide Traditional Name: N-tert-butyl-3-[2-hydroxy-3-[[2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-(methylthio)propanoyl]amino]-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxamide Formula: C35H45N5O6S2 MolecularWeight: 695.8917

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CS1)C(=O)C(C(CC2=CC=CC=C2)NC(=O)C(CSC)NC(=O)COC3=CC=CC4=C3C=CN=C4)O)C(=O)NC(C)(C)C)C

Isomeric SMILES

CC1(C(N(CS1)C(=O)C(C(CC2=CC=CC=C2)NC(=O)C(CSC)NC(=O)COC3=CC=CC4=C3C=CN=C4)O)C(=O)NC(C)(C)C)C

InChI

InChI=1S/C35H45N5O6S2/c1-34(2,3)39-32(44)30-35(4,5)48-21-40(30)33(45)29(42)25(17-22-11-8-7-9-12-22)38-31(43)26(20-47-6)37-28(41)19-46-27-14-10-13-23-18-36-16-15-24(23)27/h7-16,18,25-26,29-30,42H,17,19-21H2,1-6H3,(H,37,41)(H,38,43)(H,39,44)