tert-butyl N-[[3-[[4-azanyl-4-oxidanylidene-2-(quinolin-2-ylcarbonylamino)butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-cyclohexyl-amino]carbamate

Systemtic Name: tert-butyl N-[[3-[[4-azanyl-4-oxidanylidene-2-(quinolin-2-ylcarbonylamino)butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-cyclohexyl-amino]carbamate Openeye Name: tert-butyl N-[[3-[[4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]-cyclohexyl-amino]carbamate CAS Name: N-[[3-[[4-amino-1,4-dioxo-2-[[oxo(2-quinolinyl)methyl]amino]butyl]amino]-2-hydroxy-4-phenylbutyl]-cyclohexylamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-[[4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]-cyclohexylamino]carbamate Traditional Name: N-[[3-[[4-amino-4-keto-2-(quinaldoylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]-cyclohexyl-amino]carbamic acid tert-butyl ester Formula: C35H46N6O6 MolecularWeight: 646.77634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(CC(C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)C2=NC3=CC=CC=C3C=C2)O)C4CCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)NN(CC(C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)C2=NC3=CC=CC=C3C=C2)O)C4CCCCC4

InChI

InChI=1S/C35H46N6O6/c1-35(2,3)47-34(46)40-41(25-15-8-5-9-16-25)22-30(42)28(20-23-12-6-4-7-13-23)38-33(45)29(21-31(36)43)39-32(44)27-19-18-24-14-10-11-17-26(24)37-27/h4,6-7,10-14,17-19,25,28-30,42H,5,8-9,15-16,20-22H2,1-3H3,(H2,36,43)(H,38,45)(H,39,44)(H,40,46)