methyl (2S)-2-[2-[2-(6-bromanyl-3-nitro-indol-1-yl)ethanoylamino]ethanoylamino]propanoate

Systemtic Name: methyl (2S)-2-[2-[2-(6-bromanyl-3-nitro-indol-1-yl)ethanoylamino]ethanoylamino]propanoate Openeye Name: methyl (2S)-2-[[2-[[2-(6-bromo-3-nitro-indol-1-yl)acetyl]amino]acetyl]amino]propanoate CAS Name: (2S)-2-[[2-[[2-(6-bromo-3-nitro-1-indolyl)-1-oxoethyl]amino]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[[2-(6-bromo-3-nitroindol-1-yl)acetyl]amino]acetyl]amino]propanoate Traditional Name: (2S)-2-[[2-[[2-(6-bromo-3-nitro-indol-1-yl)acetyl]amino]acetyl]amino]propionic acid methyl ester Formula: C16H17BrN4O6 MolecularWeight: 441.23338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)CNC(=O)CN1C=C(C2=C1C=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN4O6/c1-9(16(24)27-2)19-14(22)6-18-15(23)8-20-7-13(21(25)26)11-4-3-10(17)5-12(11)20/h3-5,7,9H,6,8H2,1-2H3,(H,18,23)(H,19,22)/t9-/m0/s1