tert-butyl N-[(5S)-5-azanyl-6-[2-(octanoylamino)ethylamino]-6-oxidanylidene-hexyl]carbamate

Systemtic Name: tert-butyl N-[(5S)-5-azanyl-6-[2-(octanoylamino)ethylamino]-6-oxidanylidene-hexyl]carbamate Openeye Name: tert-butyl N-[(5S)-5-amino-6-[2-(octanoylamino)ethylamino]-6-oxo-hexyl]carbamate CAS Name: N-[(5S)-5-amino-6-oxo-6-[2-(1-oxooctylamino)ethylamino]hexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(5S)-5-amino-6-[2-(octanoylamino)ethylamino]-6-oxohexyl]carbamate Traditional Name: N-[(5S)-5-amino-6-[2-(caprylylamino)ethylamino]-6-keto-hexyl]carbamic acid tert-butyl ester Formula: C21H42N4O4 MolecularWeight: 414.58258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NCCNC(=O)C(CCCCNC(=O)OC(C)(C)C)N

Isomeric SMILES

CCCCCCCC(=O)NCCNC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)N

InChI

InChI=1S/C21H42N4O4/c1-5-6-7-8-9-13-18(26)23-15-16-24-19(27)17(22)12-10-11-14-25-20(28)29-21(2,3)4/h17H,5-16,22H2,1-4H3,(H,23,26)(H,24,27)(H,25,28)/t17-/m0/s1