tert-butyl N-[(5S)-6-(naphthalen-1-ylamino)-6-oxidanylidene-5-[[(2S,3S)-3-(phenethylcarbamoyl)oxiran-2-yl]carbonylamino]hexyl]carbamate

Systemtic Name: tert-butyl N-[(5S)-6-(naphthalen-1-ylamino)-6-oxidanylidene-5-[[(2S,3S)-3-(phenethylcarbamoyl)oxiran-2-yl]carbonylamino]hexyl]carbamate Openeye Name: tert-butyl N-[(5S)-6-(1-naphthylamino)-6-oxo-5-[[(2S,3S)-3-(phenethylcarbamoyl)oxirane-2-carbonyl]amino]hexyl]carbamate CAS Name: N-[(5S)-6-(1-naphthalenylamino)-6-oxo-5-[[oxo-[(2S,3S)-3-[oxo-(phenethylamino)methyl]-2-oxiranyl]methyl]amino]hexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(5S)-6-(naphthalen-1-ylamino)-6-oxo-5-[[(2S,3S)-3-(phenethylcarbamoyl)oxirane-2-carbonyl]amino]hexyl]carbamate Traditional Name: N-[(5S)-6-keto-6-(1-naphthylamino)-5-[[(2S,3S)-3-(phenethylcarbamoyl)oxirane-2-carbonyl]amino]hexyl]carbamic acid tert-butyl ester Formula: C33H40N4O6 MolecularWeight: 588.6939

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=O)NC1=CC=CC2=CC=CC=C21)NC(=O)C3C(O3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)NC1=CC=CC2=CC=CC=C21)NC(=O)[C@@H]3[C@H](O3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C33H40N4O6/c1-33(2,3)43-32(41)35-20-10-9-17-26(29(38)36-25-18-11-15-23-14-7-8-16-24(23)25)37-31(40)28-27(42-28)30(39)34-21-19-22-12-5-4-6-13-22/h4-8,11-16,18,26-28H,9-10,17,19-21H2,1-3H3,(H,34,39)(H,35,41)(H,36,38)(H,37,40)/t26-,27-,28-/m0/s1