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

Systemtic Name: methyl (2S)-2-[[9-(oxidanylamino)-9-oxidanylidene-nonanoyl]amino]-3-(4-thiophen-3-ylphenyl)propanoate Openeye Name: methyl (2S)-2-[[9-(hydroxyamino)-9-oxo-nonanoyl]amino]-3-[4-(3-thienyl)phenyl]propanoate CAS Name: (2S)-2-[[9-(hydroxyamino)-1,9-dioxononyl]amino]-3-[4-(3-thiophenyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-(4-thiophen-3-ylphenyl)propanoate Traditional Name: (2S)-2-[[9-(hydroxyamino)-9-keto-nonanoyl]amino]-3-[4-(3-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=CSC=C2)NC(=O)CCCCCCCC(=O)NO

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5S/c1-30-23(28)20(15-17-9-11-18(12-10-17)19-13-14-31-16-19)24-21(26)7-5-3-2-4-6-8-22(27)25-29/h9-14,16,20,29H,2-8,15H2,1H3,(H,24,26)(H,25,27)/t20-/m0/s1