tert-butyl N-[6-azanyl-4-(butan-2-ylcarbamoyl)-7-cyclohexyl-1-(4H-imidazol-4-yl)-5-oxidanyl-3-oxidanylidene-heptan-2-yl]-N-(2-azanyl-3-phenyl-propanoyl)carbamate

Systemtic Name: tert-butyl N-[6-azanyl-4-(butan-2-ylcarbamoyl)-7-cyclohexyl-1-(4H-imidazol-4-yl)-5-oxidanyl-3-oxidanylidene-heptan-2-yl]-N-(2-azanyl-3-phenyl-propanoyl)carbamate Openeye Name: tert-butyl N-[5-amino-6-cyclohexyl-4-hydroxy-1-(4H-imidazol-4-ylmethyl)-2-oxo-3-(sec-butylcarbamoyl)hexyl]-N-(2-amino-3-phenyl-propanoyl)carbamate CAS Name: N-[6-amino-4-[(butan-2-ylamino)-oxomethyl]-7-cyclohexyl-5-hydroxy-1-(4H-imidazol-4-yl)-3-oxoheptan-2-yl]-N-(2-amino-1-oxo-3-phenylpropyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-amino-4-(butan-2-ylcarbamoyl)-7-cyclohexyl-5-hydroxy-1-(4H-imidazol-4-yl)-3-oxoheptan-2-yl]-N-(2-amino-3-phenylpropanoyl)carbamate Traditional Name: N-[5-amino-6-cyclohexyl-4-hydroxy-1-(4H-imidazol-4-ylmethyl)-2-keto-3-(sec-butylcarbamoyl)hexyl]-N-phenylalanyl-carbamic acid tert-butyl ester Formula: C35H54N6O6 MolecularWeight: 654.83986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C(C(C(CC1CCCCC1)N)O)C(=O)C(CC2C=NC=N2)N(C(=O)C(CC3=CC=CC=C3)N)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)NC(=O)C(C(C(CC1CCCCC1)N)O)C(=O)C(CC2C=NC=N2)N(C(=O)C(CC3=CC=CC=C3)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C35H54N6O6/c1-6-22(2)40-32(44)29(30(42)26(36)17-23-13-9-7-10-14-23)31(43)28(19-25-20-38-21-39-25)41(34(46)47-35(3,4)5)33(45)27(37)18-24-15-11-8-12-16-24/h8,11-12,15-16,20-23,25-30,42H,6-7,9-10,13-14,17-19,36-37H2,1-5H3,(H,40,44)