(4R)-3-[(2S,3S)-3-[[(2S)-4-azanyl-2-(2-isoquinolin-5-yloxyethanoylamino)-4-oxidanylidene-butyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-N-tert-butyl-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

Systemtic Name: (4R)-3-[(2S,3S)-3-[[(2S)-4-azanyl-2-(2-isoquinolin-5-yloxyethanoylamino)-4-oxidanylidene-butyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-N-tert-butyl-5,5-dimethyl-1,3-thiazolidine-4-carboxamide Openeye Name: (4R)-3-[(2S,3S)-3-[[(2S)-4-amino-2-[[2-(5-isoquinolyloxy)acetyl]amino]-4-oxo-butyl]amino]-2-hydroxy-4-phenyl-butanoyl]-N-tert-butyl-5,5-dimethyl-thiazolidine-4-carboxamide CAS Name: (4R)-3-[(2S,3S)-3-[[(2S)-4-amino-2-[[2-(5-isoquinolinyloxy)-1-oxoethyl]amino]-4-oxobutyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-N-tert-butyl-5,5-dimethyl-4-thiazolidinecarboxamide IUPAC Name: (4R)-3-[(2S,3S)-3-[[(2S)-4-amino-2-[(2-isoquinolin-5-yloxyacetyl)amino]-4-oxobutyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-tert-butyl-5,5-dimethyl-1,3-thiazolidine-4-carboxamide Traditional Name: (4R)-3-[(2S,3S)-3-[[(2S)-4-amino-2-[[2-(5-isoquinolyloxy)acetyl]amino]-4-keto-butyl]amino]-2-hydroxy-4-phenyl-butanoyl]-N-tert-butyl-5,5-dimethyl-thiazolidine-4-carboxamide Formula: C35H46N6O6S MolecularWeight: 678.84134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1([C@H](N(CS1)C(=O)[C@H]([C@H](CC2=CC=CC=C2)NC[C@H](CC(=O)N)NC(=O)COC3=CC=CC4=C3C=CN=C4)O)C(=O)NC(C)(C)C)C

InChI

InChI=1S/C35H46N6O6S/c1-34(2,3)40-32(45)31-35(4,5)48-21-41(31)33(46)30(44)26(16-22-10-7-6-8-11-22)38-19-24(17-28(36)42)39-29(43)20-47-27-13-9-12-23-18-37-15-14-25(23)27/h6-15,18,24,26,30-31,38,44H,16-17,19-21H2,1-5H3,(H2,36,42)(H,39,43)(H,40,45)/t24-,26-,30-,31+/m0/s1