tert-butyl N-[(2S)-1-(hexadecylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-(hexadecylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate Openeye Name: tert-butyl N-[(5S)-5-(tert-butoxycarbonylamino)-6-(hexadecylamino)hexyl]carbamate CAS Name: N-[(2S)-1-(hexadecylamino)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(hexadecylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate Traditional Name: N-[(5S)-5-(tert-butoxycarbonylamino)-6-(cetylamino)hexyl]carbamic acid tert-butyl ester Formula: C32H65N3O4 MolecularWeight: 555.8762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNCC(CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C32H65N3O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-33-27-28(35-30(37)39-32(5,6)7)24-21-23-26-34-29(36)38-31(2,3)4/h28,33H,8-27H2,1-7H3,(H,34,36)(H,35,37)/t28-/m0/s1