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

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[(2-methyl-2-sulfanyl-propanoyl)amino]propanoic acid Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[(2-methyl-2-sulfanyl-propanoyl)amino]propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[(2-mercapto-2-methyl-1-oxopropyl)amino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[(2-methyl-2-sulfanylpropanoyl)amino]propanoic acid Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[(2-mercapto-2-methyl-propanoyl)amino]propionic acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3S/c1-15(2,21)14(20)17-12(13(18)19)7-9-8-16-11-6-4-3-5-10(9)11/h3-6,8,12,16,21H,7H2,1-2H3,(H,17,20)(H,18,19)/t12-/m0/s1