methyl (3S,6S,9S)-3-acetamido-6-[6-(oxidanylamino)-6-oxidanylidene-hexyl]-4,7-bis(oxidanylidene)-5,8-diazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-9-carboxylate

Systemtic Name: methyl (3S,6S,9S)-3-acetamido-6-[6-(oxidanylamino)-6-oxidanylidene-hexyl]-4,7-bis(oxidanylidene)-5,8-diazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-9-carboxylate Openeye Name: methyl (3S,6S,9S)-3-acetamido-6-[6-(hydroxyamino)-6-oxo-hexyl]-4,7-dioxo-5,8-diazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-9-carboxylate CAS Name: (3S,6S,9S)-3-acetamido-6-[6-(hydroxyamino)-6-oxohexyl]-4,7-dioxo-5,8-diazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-9-carboxylic acid methyl ester IUPAC Name: methyl (3S,6S,9S)-3-acetamido-6-[6-(hydroxyamino)-6-oxohexyl]-4,7-dioxo-5,8-diazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-9-carboxylate Traditional Name: (3S,6S,9S)-3-acetamido-6-[6-(hydroxyamino)-6-keto-hexyl]-4,7-diketo-5,8-diazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-9-carboxylic acid methyl ester Formula: C23H32N4O7 MolecularWeight: 476.52278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CC2=CC(=CC=C2)CC(NC(=O)C(NC1=O)CCCCCC(=O)NO)C(=O)OC

Isomeric SMILES

CC(=O)N[C@H]1CC2=CC(=CC=C2)C[C@H](NC(=O)[C@@H](NC1=O)CCCCCC(=O)NO)C(=O)OC

InChI

InChI=1S/C23H32N4O7/c1-14(28)24-18-12-15-7-6-8-16(11-15)13-19(23(32)34-2)26-21(30)17(25-22(18)31)9-4-3-5-10-20(29)27-33/h6-8,11,17-19,33H,3-5,9-10,12-13H2,1-2H3,(H,24,28)(H,25,31)(H,26,30)(H,27,29)/t17-,18-,19-/m0/s1