2-[3-(1H-indol-3-yl)propanoylamino]-3-methylsulfonyl-propanoic acid

Systemtic Name: 2-[3-(1H-indol-3-yl)propanoylamino]-3-methylsulfonyl-propanoic acid Openeye Name: 2-[3-(1H-indol-3-yl)propanoylamino]-3-methylsulfonyl-propanoic acid CAS Name: 2-[[3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-methylsulfonylpropanoic acid IUPAC Name: 2-[3-(1H-indol-3-yl)propanoylamino]-3-methylsulfonylpropanoic acid Traditional Name: 2-[3-(1H-indol-3-yl)propanoylamino]-3-mesyl-propionic acid Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(C(=O)O)NC(=O)CCC1=CNC2=CC=CC=C21

Isomeric SMILES

CS(=O)(=O)CC(C(=O)O)NC(=O)CCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C15H18N2O5S/c1-23(21,22)9-13(15(19)20)17-14(18)7-6-10-8-16-12-5-3-2-4-11(10)12/h2-5,8,13,16H,6-7,9H2,1H3,(H,17,18)(H,19,20)