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

Systemtic Name: N-(3-azanyl-2-oxidanyl-butanoyl)-N-tert-butyl-5-[2-(2-isoquinolin-5-yloxyethanoylamino)-3-methylsulfanyl-propanoyl]-1,3-thiazolidine-4-carboxamide Openeye Name: N-(3-amino-2-hydroxy-butanoyl)-N-tert-butyl-5-[2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-methylsulfanyl-propanoyl]thiazolidine-4-carboxamide CAS Name: N-(3-amino-2-hydroxy-1-oxobutyl)-N-tert-butyl-5-[2-[[2-(5-isoquinolinyloxy)-1-oxoethyl]amino]-3-(methylthio)-1-oxopropyl]-4-thiazolidinecarboxamide IUPAC Name: N-(3-amino-2-hydroxybutanoyl)-N-tert-butyl-5-[2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylsulfanylpropanoyl]-1,3-thiazolidine-4-carboxamide Traditional Name: N-(3-amino-2-hydroxy-butanoyl)-N-tert-butyl-5-[2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-(methylthio)propanoyl]thiazolidine-4-carboxamide Formula: C27H37N5O6S2 MolecularWeight: 591.74258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N(C(=O)C1C(SCN1)C(=O)C(CSC)NC(=O)COC2=CC=CC3=C2C=CN=C3)C(C)(C)C)O)N

Isomeric SMILES

CC(C(C(=O)N(C(=O)C1C(SCN1)C(=O)C(CSC)NC(=O)COC2=CC=CC3=C2C=CN=C3)C(C)(C)C)O)N

InChI

InChI=1S/C27H37N5O6S2/c1-15(28)22(34)26(37)32(27(2,3)4)25(36)21-24(40-14-30-21)23(35)18(13-39-5)31-20(33)12-38-19-8-6-7-16-11-29-10-9-17(16)19/h6-11,15,18,21-22,24,30,34H,12-14,28H2,1-5H3,(H,31,33)