2-(3-ethanoylsulfanylpropanoylamino)-3-(1-methylindol-3-yl)propanoic acid

Systemtic Name: 2-(3-ethanoylsulfanylpropanoylamino)-3-(1-methylindol-3-yl)propanoic acid Openeye Name: 2-(3-acetylsulfanylpropanoylamino)-3-(1-methylindol-3-yl)propanoic acid CAS Name: 2-[[3-(acetylthio)-1-oxopropyl]amino]-3-(1-methyl-3-indolyl)propanoic acid IUPAC Name: 2-(3-acetylsulfanylpropanoylamino)-3-(1-methylindol-3-yl)propanoic acid Traditional Name: 2-[3-(acetylthio)propanoylamino]-3-(1-methylindol-3-yl)propionic acid Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S/c1-11(20)24-8-7-16(21)18-14(17(22)23)9-12-10-19(2)15-6-4-3-5-13(12)15/h3-6,10,14H,7-9H2,1-2H3,(H,18,21)(H,22,23)