methyl (2S)-3-(4-nitrophenyl)-2-[[8-(oxidanylamino)-8-oxidanylidene-octanoyl]amino]propanoate

Systemtic Name: methyl (2S)-3-(4-nitrophenyl)-2-[[8-(oxidanylamino)-8-oxidanylidene-octanoyl]amino]propanoate Openeye Name: methyl (2S)-2-[[8-(hydroxyamino)-8-oxo-octanoyl]amino]-3-(4-nitrophenyl)propanoate CAS Name: (2S)-2-[[8-(hydroxyamino)-1,8-dioxooctyl]amino]-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-(4-nitrophenyl)propanoate Traditional Name: (2S)-2-[[8-(hydroxyamino)-8-keto-octanoyl]amino]-3-(4-nitrophenyl)propionic acid methyl ester Formula: C18H25N3O7 MolecularWeight: 395.407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CCCCCCC(=O)NO

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CCCCCCC(=O)NO

InChI

InChI=1S/C18H25N3O7/c1-28-18(24)15(12-13-8-10-14(11-9-13)21(26)27)19-16(22)6-4-2-3-5-7-17(23)20-25/h8-11,15,25H,2-7,12H2,1H3,(H,19,22)(H,20,23)/t15-/m0/s1