3-azanyl-2-(2-isoquinolin-5-yloxyethanoylamino)-4-(3-methylsulfanylpropanoyl)-2-(4-phenylbutanoyl)-1,3-thiazolidine-4-carboxamide

Systemtic Name: 3-azanyl-2-(2-isoquinolin-5-yloxyethanoylamino)-4-(3-methylsulfanylpropanoyl)-2-(4-phenylbutanoyl)-1,3-thiazolidine-4-carboxamide Openeye Name: 3-amino-2-[[2-(5-isoquinolyloxy)acetyl]amino]-4-(3-methylsulfanylpropanoyl)-2-(4-phenylbutanoyl)thiazolidine-4-carboxamide CAS Name: 3-amino-2-[[2-(5-isoquinolinyloxy)-1-oxoethyl]amino]-4-[3-(methylthio)-1-oxopropyl]-2-(1-oxo-4-phenylbutyl)-4-thiazolidinecarboxamide IUPAC Name: 3-amino-2-[(2-isoquinolin-5-yloxyacetyl)amino]-4-(3-methylsulfanylpropanoyl)-2-(4-phenylbutanoyl)-1,3-thiazolidine-4-carboxamide Traditional Name: 3-amino-2-[[2-(5-isoquinolyloxy)acetyl]amino]-4-[3-(methylthio)propanoyl]-2-(4-phenylbutanoyl)thiazolidine-4-carboxamide Formula: C29H33N5O5S2 MolecularWeight: 595.73282

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)C1(CSC(N1N)(C(=O)CCCC2=CC=CC=C2)NC(=O)COC3=CC=CC4=C3C=CN=C4)C(=O)N

Isomeric SMILES

CSCCC(=O)C1(CSC(N1N)(C(=O)CCCC2=CC=CC=C2)NC(=O)COC3=CC=CC4=C3C=CN=C4)C(=O)N

InChI

InChI=1S/C29H33N5O5S2/c1-40-16-14-24(35)28(27(30)38)19-41-29(34(28)31,25(36)12-5-9-20-7-3-2-4-8-20)33-26(37)18-39-23-11-6-10-21-17-32-15-13-22(21)23/h2-4,6-8,10-11,13,15,17H,5,9,12,14,16,18-19,31H2,1H3,(H2,30,38)(H,33,37)