[(2S)-1-[2-[2-(4-methoxy-3-oxidanyl-phenyl)ethanoyl-oxidanyl-amino]ethoxy]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-[2-(4-methoxy-3-oxidanyl-phenyl)ethanoyl-oxidanyl-amino]ethoxy]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[2-[hydroxy-[2-(3-hydroxy-4-methoxy-phenyl)acetyl]amino]ethoxycarbonyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[2-[hydroxy-[2-(3-hydroxy-4-methoxyphenyl)-1-oxoethyl]amino]ethoxy]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-[hydroxy-[2-(3-hydroxy-4-methoxyphenyl)acetyl]amino]ethoxy]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[2-[hydroxy-[2-(3-hydroxy-4-methoxy-phenyl)acetyl]amino]ethoxycarbonyl]-3-(methylthio)propyl]ammonium Formula: C16H25N2O6S+ MolecularWeight: 373.4445

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N(CCOC(=O)C(CCSC)[NH3+])O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N(CCOC(=O)[C@H](CCSC)[NH3+])O)O

InChI

InChI=1S/C16H24N2O6S/c1-23-14-4-3-11(9-13(14)19)10-15(20)18(22)6-7-24-16(21)12(17)5-8-25-2/h3-4,9,12,19,22H,5-8,10,17H2,1-2H3/p+1/t12-/m0/s1