methyl (2S)-2-[2-[2-(6-bromanylindol-1-yl)ethanoylamino]ethanoylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[2-[2-(6-bromanylindol-1-yl)ethanoylamino]ethanoylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[2-[[2-(6-bromoindol-1-yl)acetyl]amino]acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[[2-(6-bromo-1-indolyl)-1-oxoethyl]amino]-1-oxoethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[[2-(6-bromoindol-1-yl)acetyl]amino]acetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[[2-(6-bromoindol-1-yl)acetyl]amino]acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C18H22BrN3O4 MolecularWeight: 424.28898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3O4/c1-11(2)17(18(25)26-3)21-15(23)9-20-16(24)10-22-7-6-12-4-5-13(19)8-14(12)22/h4-8,11,17H,9-10H2,1-3H3,(H,20,24)(H,21,23)/t17-/m0/s1