(2S)-2-azanyl-3-[4-[(4-methylsulfanylphenyl)methoxycarbonyloxy]phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[4-[(4-methylsulfanylphenyl)methoxycarbonyloxy]phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-[(4-methylsulfanylphenyl)methoxycarbonyloxy]phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-[[4-(methylthio)phenyl]methoxy-oxomethoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-[(4-methylsulfanylphenyl)methoxycarbonyloxy]phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-[4-(methylthio)benzyl]oxycarbonyloxyphenyl]propionic acid Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)CC(C(=O)O)N

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)C[C@@H](C(=O)O)N

InChI

InChI=1S/C18H19NO5S/c1-25-15-8-4-13(5-9-15)11-23-18(22)24-14-6-2-12(3-7-14)10-16(19)17(20)21/h2-9,16H,10-11,19H2,1H3,(H,20,21)/t16-/m0/s1