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

Systemtic Name: methyl (2S)-2-[[9-(oxidanylamino)-9-oxidanylidene-nonanoyl]amino]-3-(4-thiophen-2-ylphenyl)propanoate Openeye Name: methyl (2S)-2-[[9-(hydroxyamino)-9-oxo-nonanoyl]amino]-3-[4-(2-thienyl)phenyl]propanoate CAS Name: (2S)-2-[[9-(hydroxyamino)-1,9-dioxononyl]amino]-3-(4-thiophen-2-ylphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-(4-thiophen-2-ylphenyl)propanoate Traditional Name: (2S)-2-[[9-(hydroxyamino)-9-keto-nonanoyl]amino]-3-[4-(2-thienyl)phenyl]propionic acid methyl ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)C2=CC=CS2)NC(=O)CCCCCCCC(=O)NO

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)C2=CC=CS2)NC(=O)CCCCCCCC(=O)NO

InChI

InChI=1S/C23H30N2O5S/c1-30-23(28)19(16-17-11-13-18(14-12-17)20-8-7-15-31-20)24-21(26)9-5-3-2-4-6-10-22(27)25-29/h7-8,11-15,19,29H,2-6,9-10,16H2,1H3,(H,24,26)(H,25,27)/t19-/m0/s1