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

Systemtic Name: 3-(1-methylindol-3-yl)-2-(3-sulfanylpropanoylamino)propanoic acid Openeye Name: 3-(1-methylindol-3-yl)-2-(3-sulfanylpropanoylamino)propanoic acid CAS Name: 2-[(3-mercapto-1-oxopropyl)amino]-3-(1-methyl-3-indolyl)propanoic acid IUPAC Name: 3-(1-methylindol-3-yl)-2-(3-sulfanylpropanoylamino)propanoic acid Traditional Name: 2-(3-mercaptopropanoylamino)-3-(1-methylindol-3-yl)propionic acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CC(C(=O)O)NC(=O)CCS

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CC(C(=O)O)NC(=O)CCS

InChI

InChI=1S/C15H18N2O3S/c1-17-9-10(11-4-2-3-5-13(11)17)8-12(15(19)20)16-14(18)6-7-21/h2-5,9,12,21H,6-8H2,1H3,(H,16,18)(H,19,20)