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

Systemtic Name: methyl (2S)-2-[2-(6-bromanylindol-1-yl)ethanoylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-(6-bromo-1-indolyl)-1-oxoethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C16H19BrN2O3 MolecularWeight: 367.23766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN2O3/c1-10(2)15(16(21)22-3)18-14(20)9-19-7-6-11-4-5-12(17)8-13(11)19/h4-8,10,15H,9H2,1-3H3,(H,18,20)/t15-/m0/s1