(2S)-2-[2-(1H-indol-3-yl)ethanoylamino]-3-methyl-pentanoic acid

Systemtic Name: (2S)-2-[2-(1H-indol-3-yl)ethanoylamino]-3-methyl-pentanoic acid Openeye Name: (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methyl-pentanoic acid CAS Name: (2S)-2-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylpentanoic acid Traditional Name: (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methyl-valeric acid Formula: C16H20N2O3 MolecularWeight: 288.3416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)[C@@H](C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21

InChI

InChI=1S/C16H20N2O3/c1-3-10(2)15(16(20)21)18-14(19)8-11-9-17-13-7-5-4-6-12(11)13/h4-7,9-10,15,17H,3,8H2,1-2H3,(H,18,19)(H,20,21)/t10?,15-/m0/s1