(2S)-2-acetamido-3-[1-[3,4-bis(oxidanyl)phenyl]indol-3-yl]propanoic acid

Systemtic Name: (2S)-2-acetamido-3-[1-[3,4-bis(oxidanyl)phenyl]indol-3-yl]propanoic acid Openeye Name: (2S)-2-acetamido-3-[1-(3,4-dihydroxyphenyl)indol-3-yl]propanoic acid CAS Name: (2S)-2-acetamido-3-[1-(3,4-dihydroxyphenyl)-3-indolyl]propanoic acid IUPAC Name: (2S)-2-acetamido-3-[1-(3,4-dihydroxyphenyl)indol-3-yl]propanoic acid Traditional Name: (2S)-2-acetamido-3-[1-(3,4-dihydroxyphenyl)indol-3-yl]propionic acid Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CN(C2=CC=CC=C21)C3=CC(=C(C=C3)O)O)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CC1=CN(C2=CC=CC=C21)C3=CC(=C(C=C3)O)O)C(=O)O

InChI

InChI=1S/C19H18N2O5/c1-11(22)20-15(19(25)26)8-12-10-21(16-5-3-2-4-14(12)16)13-6-7-17(23)18(24)9-13/h2-7,9-10,15,23-24H,8H2,1H3,(H,20,22)(H,25,26)/t15-/m0/s1