tert-butyl N-[(5S)-6-azanyl-5-[[(3S,6R,7S)-6-hexyl-7-(oxidanylcarbamoyl)-5-oxidanylidene-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-3-yl]carbonylamino]-6-oxidanylidene-hexyl]carbamate

Systemtic Name: tert-butyl N-[(5S)-6-azanyl-5-[[(3S,6R,7S)-6-hexyl-7-(oxidanylcarbamoyl)-5-oxidanylidene-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-3-yl]carbonylamino]-6-oxidanylidene-hexyl]carbamate Openeye Name: tert-butyl N-[(5S)-6-amino-5-[[(3S,6R,7S)-6-hexyl-7-(hydroxycarbamoyl)-5-oxo-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-3-carbonyl]amino]-6-oxo-hexyl]carbamate CAS Name: N-[(5S)-6-amino-5-[[[(3S,6R,7S)-6-hexyl-7-[(hydroxyamino)-oxomethyl]-5-oxo-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-3-yl]-oxomethyl]amino]-6-oxohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(5S)-6-amino-5-[[(3S,6R,7S)-6-hexyl-7-(hydroxycarbamoyl)-5-oxo-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-3-carbonyl]amino]-6-oxohexyl]carbamate Traditional Name: N-[(5S)-6-amino-5-[[(3S,6R,7S)-6-hexyl-7-(hydroxycarbamoyl)-5-keto-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-3-carbonyl]amino]-6-keto-hexyl]carbamic acid tert-butyl ester Formula: C33H53N5O8 MolecularWeight: 647.80262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(CCCOC2=CC=C(CC(NC1=O)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)N)C=C2)C(=O)NO

Isomeric SMILES

CCCCCC[C@@H]1[C@H](CCCOC2=CC=C(C[C@H](NC1=O)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N)C=C2)C(=O)NO

InChI

InChI=1S/C33H53N5O8/c1-5-6-7-8-12-24-25(30(41)38-44)13-11-20-45-23-17-15-22(16-18-23)21-27(37-29(24)40)31(42)36-26(28(34)39)14-9-10-19-35-32(43)46-33(2,3)4/h15-18,24-27,44H,5-14,19-21H2,1-4H3,(H2,34,39)(H,35,43)(H,36,42)(H,37,40)(H,38,41)/t24-,25+,26+,27+/m1/s1