tert-butyl N-[1-[[11-azanyl-11-cyclohexyl-1-(4H-imidazol-4-yl)-9-oxidanyl-3-oxidanylidene-7-propan-2-yl-4-propyl-undecan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[11-azanyl-11-cyclohexyl-1-(4H-imidazol-4-yl)-9-oxidanyl-3-oxidanylidene-7-propan-2-yl-4-propyl-undecan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[[10-amino-10-cyclohexyl-8-hydroxy-1-(4H-imidazol-4-ylmethyl)-6-isopropyl-2-oxo-3-propyl-decyl]amino]-1-benzyl-2-oxo-ethyl]carbamate CAS Name: N-[1-[[11-amino-11-cyclohexyl-9-hydroxy-1-(4H-imidazol-4-yl)-3-oxo-7-propan-2-yl-4-propylundecan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[11-amino-11-cyclohexyl-9-hydroxy-1-(4H-imidazol-4-yl)-3-oxo-7-propan-2-yl-4-propylundecan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[2-[[10-amino-10-cyclohexyl-8-hydroxy-1-(4H-imidazol-4-ylmethyl)-6-isopropyl-2-keto-3-propyl-decyl]amino]-1-benzyl-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C40H65N5O5 MolecularWeight: 695.9746

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(CC(CC(C1CCCCC1)N)O)C(C)C)C(=O)C(CC2C=NC=N2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC(CCC(CC(CC(C1CCCCC1)N)O)C(C)C)C(=O)C(CC2C=NC=N2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C40H65N5O5/c1-7-14-30(19-20-31(27(2)3)22-33(46)24-34(41)29-17-12-9-13-18-29)37(47)35(23-32-25-42-26-43-32)44-38(48)36(21-28-15-10-8-11-16-28)45-39(49)50-40(4,5)6/h8,10-11,15-16,25-27,29-36,46H,7,9,12-14,17-24,41H2,1-6H3,(H,44,48)(H,45,49)