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

Systemtic Name: 2-(3-ethanoylsulfanylpropanoylamino)-3-(5-methoxy-1H-indol-3-yl)propanoic acid Openeye Name: 2-(3-acetylsulfanylpropanoylamino)-3-(5-methoxy-1H-indol-3-yl)propanoic acid CAS Name: 2-[[3-(acetylthio)-1-oxopropyl]amino]-3-(5-methoxy-1H-indol-3-yl)propanoic acid IUPAC Name: 2-(3-acetylsulfanylpropanoylamino)-3-(5-methoxy-1H-indol-3-yl)propanoic acid Traditional Name: 2-[3-(acetylthio)propanoylamino]-3-(5-methoxy-1H-indol-3-yl)propionic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5S/c1-10(20)25-6-5-16(21)19-15(17(22)23)7-11-9-18-14-4-3-12(24-2)8-13(11)14/h3-4,8-9,15,18H,5-7H2,1-2H3,(H,19,21)(H,22,23)