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

Systemtic Name: 2-(3-ethanoylsulfanylpropanoylamino)-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-(3-acetylsulfanylpropanoylamino)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: 2-[[3-(acetylthio)-1-oxopropyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: 2-(3-acetylsulfanylpropanoylamino)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: 2-[3-(acetylthio)propanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)NC(CC1=CNC2=C1C=C(C=C2)O)C(=O)O

Isomeric SMILES

CC(=O)SCCC(=O)NC(CC1=CNC2=C1C=C(C=C2)O)C(=O)O

InChI

InChI=1S/C16H18N2O5S/c1-9(19)24-5-4-15(21)18-14(16(22)23)6-10-8-17-13-3-2-11(20)7-12(10)13/h2-3,7-8,14,17,20H,4-6H2,1H3,(H,18,21)(H,22,23)