tert-butyl N-[(2S,3S,5S)-5-(2-cyclohexylethylcarbamoyl)-6-methyl-3-oxidanyl-1-phenyl-heptan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3S,5S)-5-(2-cyclohexylethylcarbamoyl)-6-methyl-3-oxidanyl-1-phenyl-heptan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2S,4S)-1-benzyl-4-(2-cyclohexylethylcarbamoyl)-2-hydroxy-5-methyl-hexyl]carbamate CAS Name: N-[(2S,3S,5S)-5-[(2-cyclohexylethylamino)-oxomethyl]-3-hydroxy-6-methyl-1-phenylheptan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3S,5S)-5-(2-cyclohexylethylcarbamoyl)-3-hydroxy-6-methyl-1-phenylheptan-2-yl]carbamate Traditional Name: N-[(1S,2S,4S)-1-benzyl-4-(2-cyclohexylethylcarbamoyl)-2-hydroxy-5-methyl-hexyl]carbamic acid tert-butyl ester Formula: C28H46N2O4 MolecularWeight: 474.67584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)C(=O)NCCC2CCCCC2

Isomeric SMILES

CC(C)[C@H](C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)C(=O)NCCC2CCCCC2

InChI

InChI=1S/C28H46N2O4/c1-20(2)23(26(32)29-17-16-21-12-8-6-9-13-21)19-25(31)24(18-22-14-10-7-11-15-22)30-27(33)34-28(3,4)5/h7,10-11,14-15,20-21,23-25,31H,6,8-9,12-13,16-19H2,1-5H3,(H,29,32)(H,30,33)/t23-,24-,25-/m0/s1