N-[4-[2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]-2-(isoquinolin-1-ylcarbonylamino)butanediamide

Systemtic Name: N-[4-[2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]-2-(isoquinolin-1-ylcarbonylamino)butanediamide Openeye Name: N-[1-benzyl-3-[2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-2-hydroxy-3-oxo-propyl]-2-(isoquinoline-1-carbonylamino)butanediamide CAS Name: N-[4-[2-[(tert-butylamino)-oxomethyl]-1-pyrrolidinyl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[[1-isoquinolinyl(oxo)methyl]amino]butanediamide IUPAC Name: N-[4-[2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-(isoquinoline-1-carbonylamino)butanediamide Traditional Name: N-[1-benzyl-3-[2-(tert-butylcarbamoyl)pyrrolidino]-2-hydroxy-3-keto-propyl]-2-(isoquinoline-1-carbonylamino)succinamide Formula: C33H40N6O6 MolecularWeight: 616.7073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CCCN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3=NC=CC4=CC=CC=C43)O

Isomeric SMILES

CC(C)(C)NC(=O)C1CCCN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3=NC=CC4=CC=CC=C43)O

InChI

InChI=1S/C33H40N6O6/c1-33(2,3)38-30(43)25-14-9-17-39(25)32(45)28(41)23(18-20-10-5-4-6-11-20)36-29(42)24(19-26(34)40)37-31(44)27-22-13-8-7-12-21(22)15-16-35-27/h4-8,10-13,15-16,23-25,28,41H,9,14,17-19H2,1-3H3,(H2,34,40)(H,36,42)(H,37,44)(H,38,43)