(2S)-2-[[(3S)-3-(1,3-benzodioxol-5-ylmethyl)-4-ethanoylsulfanyl-2-oxidanylidene-butyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[(3S)-3-(1,3-benzodioxol-5-ylmethyl)-4-ethanoylsulfanyl-2-oxidanylidene-butyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(3S)-3-(acetylsulfanylmethyl)-4-(1,3-benzodioxol-5-yl)-2-oxo-butyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3S)-3-[(acetylthio)methyl]-4-(1,3-benzodioxol-5-yl)-2-oxobutyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(3S)-3-(acetylsulfanylmethyl)-4-(1,3-benzodioxol-5-yl)-2-oxobutyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(3S)-3-[(acetylthio)methyl]-4-(1,3-benzodioxol-5-yl)-2-keto-butyl]amino]-4-(methylthio)butyrate Formula: C19H24NO6S2- MolecularWeight: 426.52696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC2=C(C=C1)OCO2)C(=O)CNC(CCSC)C(=O)[O-]

Isomeric SMILES

CC(=O)SC[C@@H](CC1=CC2=C(C=C1)OCO2)C(=O)CN[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C19H25NO6S2/c1-12(21)28-10-14(7-13-3-4-17-18(8-13)26-11-25-17)16(22)9-20-15(19(23)24)5-6-27-2/h3-4,8,14-15,20H,5-7,9-11H2,1-2H3,(H,23,24)/p-1/t14-,15+/m1/s1