tert-butyl N-[(2S,3S,5R)-5-(5-butanoyl-1H-imidazol-2-yl)-3-oxidanyl-1,6-diphenyl-hexan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3S,5R)-5-(5-butanoyl-1H-imidazol-2-yl)-3-oxidanyl-1,6-diphenyl-hexan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2S,4R)-1-benzyl-4-(5-butanoyl-1H-imidazol-2-yl)-2-hydroxy-5-phenyl-pentyl]carbamate CAS Name: N-[(2S,3S,5R)-3-hydroxy-5-[5-(1-oxobutyl)-1H-imidazol-2-yl]-1,6-diphenylhexan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3S,5R)-5-(5-butanoyl-1H-imidazol-2-yl)-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate Traditional Name: N-[(1S,2S,4R)-1-benzyl-4-(5-butyryl-1H-imidazol-2-yl)-2-hydroxy-5-phenyl-pentyl]carbamic acid tert-butyl ester Formula: C30H39N3O4 MolecularWeight: 505.64836

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C(N1)C(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CCCC(=O)C1=CN=C(N1)[C@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C30H39N3O4/c1-5-12-26(34)25-20-31-28(32-25)23(17-21-13-8-6-9-14-21)19-27(35)24(18-22-15-10-7-11-16-22)33-29(36)37-30(2,3)4/h6-11,13-16,20,23-24,27,35H,5,12,17-19H2,1-4H3,(H,31,32)(H,33,36)/t23-,24+,27+/m1/s1