methyl 2-azanyl-3-(4-sulfooxyphenyl)propanoate

Systemtic Name: methyl 2-azanyl-3-(4-sulfooxyphenyl)propanoate Openeye Name: methyl 2-amino-3-(4-sulfooxyphenyl)propanoate CAS Name: 2-amino-3-(4-sulfooxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-(4-sulfooxyphenyl)propanoate Traditional Name: 2-amino-3-(4-sulfoxyphenyl)propionic acid methyl ester Formula: C10H13NO6S MolecularWeight: 275.27832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OS(=O)(=O)O)N

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)OS(=O)(=O)O)N

InChI

InChI=1S/C10H13NO6S/c1-16-10(12)9(11)6-7-2-4-8(5-3-7)17-18(13,14)15/h2-5,9H,6,11H2,1H3,(H,13,14,15)