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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)CCS

InChI

InChI=1S/C14H16N2O3S/c17-13(5-6-20)16-12(14(18)19)7-9-8-15-11-4-2-1-3-10(9)11/h1-4,8,12,15,20H,5-7H2,(H,16,17)(H,18,19)/t12-/m0/s1