methyl (2S)-3-(4-bromophenyl)-2-[[9-(oxidanylamino)-9-oxidanylidene-nonanoyl]amino]propanoate

Systemtic Name: methyl (2S)-3-(4-bromophenyl)-2-[[9-(oxidanylamino)-9-oxidanylidene-nonanoyl]amino]propanoate Openeye Name: methyl (2S)-3-(4-bromophenyl)-2-[[9-(hydroxyamino)-9-oxo-nonanoyl]amino]propanoate CAS Name: (2S)-3-(4-bromophenyl)-2-[[9-(hydroxyamino)-1,9-dioxononyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-bromophenyl)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]propanoate Traditional Name: (2S)-3-(4-bromophenyl)-2-[[9-(hydroxyamino)-9-keto-nonanoyl]amino]propionic acid methyl ester Formula: C19H27BrN2O5 MolecularWeight: 443.33208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)Br)NC(=O)CCCCCCCC(=O)NO

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)Br)NC(=O)CCCCCCCC(=O)NO

InChI

InChI=1S/C19H27BrN2O5/c1-27-19(25)16(13-14-9-11-15(20)12-10-14)21-17(23)7-5-3-2-4-6-8-18(24)22-26/h9-12,16,26H,2-8,13H2,1H3,(H,21,23)(H,22,24)/t16-/m0/s1