(2S)-3-(1H-indol-3-yl)-2-(2-sulfanylpropanoylamino)propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-(2-sulfanylpropanoylamino)propanoic acid Openeye Name: (2S)-3-(1H-indol-3-yl)-2-(2-sulfanylpropanoylamino)propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[(2-mercapto-1-oxopropyl)amino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-(2-sulfanylpropanoylamino)propanoic acid Traditional Name: (2S)-3-(1H-indol-3-yl)-2-(2-mercaptopropanoylamino)propionic acid Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)S

Isomeric SMILES

CC(C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)S

InChI

InChI=1S/C14H16N2O3S/c1-8(20)13(17)16-12(14(18)19)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7-8,12,15,20H,6H2,1H3,(H,16,17)(H,18,19)/t8?,12-/m0/s1