(2S)-2-(2-indol-1-ylethanoylamino)-3-methyl-butanoic acid

Systemtic Name: (2S)-2-(2-indol-1-ylethanoylamino)-3-methyl-butanoic acid Openeye Name: (2S)-2-[(2-indol-1-ylacetyl)amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[2-(1-indolyl)-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(2-indol-1-ylacetyl)amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(2-indol-1-ylacetyl)amino]-3-methyl-butyric acid Formula: C15H18N2O3 MolecularWeight: 274.31502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CN1C=CC2=CC=CC=C21

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)CN1C=CC2=CC=CC=C21

InChI

InChI=1S/C15H18N2O3/c1-10(2)14(15(19)20)16-13(18)9-17-8-7-11-5-3-4-6-12(11)17/h3-8,10,14H,9H2,1-2H3,(H,16,18)(H,19,20)/t14-/m0/s1