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

Systemtic Name: tert-butyl N-[[3-[[4-azanyl-4-oxidanylidene-2-(quinolin-2-ylmethylamino)butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-cyclohexyl-amino]carbamate Openeye Name: tert-butyl N-[[3-[[4-amino-4-oxo-2-(2-quinolylmethylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]-cyclohexyl-amino]carbamate CAS Name: N-[[3-[[4-amino-1,4-dioxo-2-(2-quinolinylmethylamino)butyl]amino]-2-hydroxy-4-phenylbutyl]-cyclohexylamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-[[4-amino-4-oxo-2-(quinolin-2-ylmethylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]-cyclohexylamino]carbamate Traditional Name: N-[[3-[[4-amino-4-keto-2-(2-quinolylmethylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]-cyclohexyl-amino]carbamic acid tert-butyl ester Formula: C35H48N6O5 MolecularWeight: 632.79282

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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)NCC2=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)NCC2=NC3=CC=CC=C3C=C2)O)C4CCCCC4

InChI

InChI=1S/C35H48N6O5/c1-35(2,3)46-34(45)40-41(27-15-8-5-9-16-27)23-31(42)29(20-24-12-6-4-7-13-24)39-33(44)30(21-32(36)43)37-22-26-19-18-25-14-10-11-17-28(25)38-26/h4,6-7,10-14,17-19,27,29-31,37,42H,5,8-9,15-16,20-23H2,1-3H3,(H2,36,43)(H,39,44)(H,40,45)