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

Systemtic Name: 2-(3-ethanoylsulfanylpropanoylamino)-3-(1-methanoylindol-3-yl)propanoic acid Openeye Name: 2-(3-acetylsulfanylpropanoylamino)-3-(1-formylindol-3-yl)propanoic acid CAS Name: 2-[[3-(acetylthio)-1-oxopropyl]amino]-3-(1-formyl-3-indolyl)propanoic acid IUPAC Name: 2-(3-acetylsulfanylpropanoylamino)-3-(1-formylindol-3-yl)propanoic acid Traditional Name: 2-[3-(acetylthio)propanoylamino]-3-(1-formylindol-3-yl)propionic acid Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5S/c1-11(21)25-7-6-16(22)18-14(17(23)24)8-12-9-19(10-20)15-5-3-2-4-13(12)15/h2-5,9-10,14H,6-8H2,1H3,(H,18,22)(H,23,24)