(2S)-3-(1H-indol-3-yl)-2-[[(2R)-4-methyl-2-sulfanyl-pentanoyl]amino]propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[[(2R)-4-methyl-2-sulfanyl-pentanoyl]amino]propanoic acid Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[[(2R)-4-methyl-2-sulfanyl-pentanoyl]amino]propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(2R)-2-mercapto-4-methyl-1-oxopentyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[[(2R)-4-methyl-2-sulfanylpentanoyl]amino]propanoic acid Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[(2R)-2-mercapto-4-methyl-pentanoyl]amino]propionic acid Formula: C17H22N2O3S MolecularWeight: 334.43318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3S/c1-10(2)7-15(23)16(20)19-14(17(21)22)8-11-9-18-13-6-4-3-5-12(11)13/h3-6,9-10,14-15,18,23H,7-8H2,1-2H3,(H,19,20)(H,21,22)/t14-,15+/m0/s1