methyl 3-[[(1S)-1-(3H-benzo[e]benzimidazol-2-yl)-7-(oxidanylamino)-7-oxidanylidene-heptyl]carbamoyl]benzoate

Systemtic Name: methyl 3-[[(1S)-1-(3H-benzo[e]benzimidazol-2-yl)-7-(oxidanylamino)-7-oxidanylidene-heptyl]carbamoyl]benzoate Openeye Name: methyl 3-[[(1S)-1-(3H-benzo[e]benzimidazol-2-yl)-7-(hydroxyamino)-7-oxo-heptyl]carbamoyl]benzoate CAS Name: 3-[[[(1S)-1-(3H-benzo[e]benzimidazol-2-yl)-7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(1S)-1-(3H-benzo[e]benzimidazol-2-yl)-7-(hydroxyamino)-7-oxoheptyl]carbamoyl]benzoate Traditional Name: 3-[[(1S)-1-(3H-benzo[e]benzimidazol-2-yl)-7-(hydroxyamino)-7-keto-heptyl]carbamoyl]benzoic acid methyl ester Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(CCCCCC(=O)NO)C2=NC3=C(N2)C=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)N[C@@H](CCCCCC(=O)NO)C2=NC3=C(N2)C=CC4=CC=CC=C43

InChI

InChI=1S/C27H28N4O5/c1-36-27(34)19-10-7-9-18(16-19)26(33)29-22(12-3-2-4-13-23(32)31-35)25-28-21-15-14-17-8-5-6-11-20(17)24(21)30-25/h5-11,14-16,22,35H,2-4,12-13H2,1H3,(H,28,30)(H,29,33)(H,31,32)/t22-/m0/s1