N-tert-butyl-3-[3-[2-[(3-isoquinolin-5-yloxy-2-oxidanylidene-propyl)sulfanylamino]propanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-1,3-thiazolidine-4-carboxamide

Systemtic Name: N-tert-butyl-3-[3-[2-[(3-isoquinolin-5-yloxy-2-oxidanylidene-propyl)sulfanylamino]propanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-1,3-thiazolidine-4-carboxamide Openeye Name: N-tert-butyl-3-[2-hydroxy-3-[2-[[3-(5-isoquinolyloxy)-2-oxo-propyl]sulfanylamino]propanoylamino]-4-phenyl-butanoyl]thiazolidine-4-carboxamide CAS Name: N-tert-butyl-3-[2-hydroxy-3-[[2-[[[3-(5-isoquinolinyloxy)-2-oxopropyl]thio]amino]-1-oxopropyl]amino]-1-oxo-4-phenylbutyl]-4-thiazolidinecarboxamide IUPAC Name: N-tert-butyl-3-[2-hydroxy-3-[2-[(3-isoquinolin-5-yloxy-2-oxopropyl)sulfanylamino]propanoylamino]-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide Traditional Name: N-tert-butyl-3-[2-hydroxy-3-[2-[[[3-(5-isoquinolyloxy)-2-keto-propyl]thio]amino]propanoylamino]-4-phenyl-butanoyl]thiazolidine-4-carboxamide Formula: C33H41N5O6S2 MolecularWeight: 667.83854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(C(=O)N2CSCC2C(=O)NC(C)(C)C)O)NSCC(=O)COC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC(C(=O)NC(CC1=CC=CC=C1)C(C(=O)N2CSCC2C(=O)NC(C)(C)C)O)NSCC(=O)COC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C33H41N5O6S2/c1-21(37-46-18-24(39)17-44-28-12-8-11-23-16-34-14-13-25(23)28)30(41)35-26(15-22-9-6-5-7-10-22)29(40)32(43)38-20-45-19-27(38)31(42)36-33(2,3)4/h5-14,16,21,26-27,29,37,40H,15,17-20H2,1-4H3,(H,35,41)(H,36,42)