(4S,5S,7S)-5-azanyl-N-butyl-7-[(4-tert-butylphenyl)methyl]-2,8,8-trimethyl-4-oxidanyl-nonanamide

Systemtic Name: (4S,5S,7S)-5-azanyl-N-butyl-7-[(4-tert-butylphenyl)methyl]-2,8,8-trimethyl-4-oxidanyl-nonanamide Openeye Name: (4S,5S,7S)-5-amino-N-butyl-7-[(4-tert-butylphenyl)methyl]-4-hydroxy-2,8,8-trimethyl-nonanamide CAS Name: (4S,5S,7S)-5-amino-N-butyl-7-[(4-tert-butylphenyl)methyl]-4-hydroxy-2,8,8-trimethylnonanamide IUPAC Name: (4S,5S,7S)-5-amino-N-butyl-7-[(4-tert-butylphenyl)methyl]-4-hydroxy-2,8,8-trimethylnonanamide Traditional Name: (4S,5S,7S)-5-amino-N-butyl-7-(4-tert-butylbenzyl)-4-hydroxy-2,8,8-trimethyl-pelargonamide Formula: C27H48N2O2 MolecularWeight: 432.68222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CC(CC1=CC=C(C=C1)C(C)(C)C)C(C)(C)C)N)O

Isomeric SMILES

CCCCNC(=O)C(C)C[C@@H]([C@H](C[C@H](CC1=CC=C(C=C1)C(C)(C)C)C(C)(C)C)N)O

InChI

InChI=1S/C27H48N2O2/c1-9-10-15-29-25(31)19(2)16-24(30)23(28)18-22(27(6,7)8)17-20-11-13-21(14-12-20)26(3,4)5/h11-14,19,22-24,30H,9-10,15-18,28H2,1-8H3,(H,29,31)/t19?,22-,23-,24-/m0/s1