3-(1H-indol-3-yl)-2-[[3-sulfanyl-2-(sulfanylmethyl)propanoyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[3-sulfanyl-2-(sulfanylmethyl)propanoyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[3-sulfanyl-2-(sulfanylmethyl)propanoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[3-mercapto-2-(mercaptomethyl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[3-sulfanyl-2-(sulfanylmethyl)propanoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[3-mercapto-2-(mercaptomethyl)propanoyl]amino]propionic acid Formula: C15H18N2O3S2 MolecularWeight: 338.44502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(CS)CS

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(CS)CS

InChI

InChI=1S/C15H18N2O3S2/c18-14(10(7-21)8-22)17-13(15(19)20)5-9-6-16-12-4-2-1-3-11(9)12/h1-4,6,10,13,16,21-22H,5,7-8H2,(H,17,18)(H,19,20)