methyl (2S)-2-[2-[2-(6-bromanylindol-1-yl)ethanoylamino]ethanoylamino]propanoate

Systemtic Name: methyl (2S)-2-[2-[2-(6-bromanylindol-1-yl)ethanoylamino]ethanoylamino]propanoate Openeye Name: methyl (2S)-2-[[2-[[2-(6-bromoindol-1-yl)acetyl]amino]acetyl]amino]propanoate CAS Name: (2S)-2-[[2-[[2-(6-bromo-1-indolyl)-1-oxoethyl]amino]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[[2-(6-bromoindol-1-yl)acetyl]amino]acetyl]amino]propanoate Traditional Name: (2S)-2-[[2-[[2-(6-bromoindol-1-yl)acetyl]amino]acetyl]amino]propionic acid methyl ester Formula: C16H18BrN3O4 MolecularWeight: 396.23582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)CNC(=O)CN1C=CC2=C1C=C(C=C2)Br

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)CNC(=O)CN1C=CC2=C1C=C(C=C2)Br

InChI

InChI=1S/C16H18BrN3O4/c1-10(16(23)24-2)19-14(21)8-18-15(22)9-20-6-5-11-3-4-12(17)7-13(11)20/h3-7,10H,8-9H2,1-2H3,(H,18,22)(H,19,21)/t10-/m0/s1