3-(5-oxidanyl-1H-indol-3-yl)-2-(3-sulfanylpropanoylamino)propanoic acid

Systemtic Name: 3-(5-oxidanyl-1H-indol-3-yl)-2-(3-sulfanylpropanoylamino)propanoic acid Openeye Name: 3-(5-hydroxy-1H-indol-3-yl)-2-(3-sulfanylpropanoylamino)propanoic acid CAS Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[(3-mercapto-1-oxopropyl)amino]propanoic acid IUPAC Name: 3-(5-hydroxy-1H-indol-3-yl)-2-(3-sulfanylpropanoylamino)propanoic acid Traditional Name: 3-(5-hydroxy-1H-indol-3-yl)-2-(3-mercaptopropanoylamino)propionic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)NC(=O)CCS

Isomeric SMILES

C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)NC(=O)CCS

InChI

InChI=1S/C14H16N2O4S/c17-9-1-2-11-10(6-9)8(7-15-11)5-12(14(19)20)16-13(18)3-4-21/h1-2,6-7,12,15,17,21H,3-5H2,(H,16,18)(H,19,20)