(2S)-2-[2-(4-chloranylindol-1-yl)ethanoylamino]propanoic acid

Systemtic Name: (2S)-2-[2-(4-chloranylindol-1-yl)ethanoylamino]propanoic acid Openeye Name: (2S)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]propanoic acid CAS Name: (2S)-2-[[2-(4-chloro-1-indolyl)-1-oxoethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]propanoic acid Traditional Name: (2S)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]propionic acid Formula: C13H13ClN2O3 MolecularWeight: 280.70692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CN1C=CC2=C1C=CC=C2Cl

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)CN1C=CC2=C1C=CC=C2Cl

InChI

InChI=1S/C13H13ClN2O3/c1-8(13(18)19)15-12(17)7-16-6-5-9-10(14)3-2-4-11(9)16/h2-6,8H,7H2,1H3,(H,15,17)(H,18,19)/t8-/m0/s1