(2S)-2-[2-(6-bromanylindol-1-yl)ethanoylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[2-(6-bromanylindol-1-yl)ethanoylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[2-(6-bromoindol-1-yl)acetyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[2-(6-bromo-1-indolyl)-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[2-(6-bromoindol-1-yl)acetyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[2-(6-bromoindol-1-yl)acetyl]amino]-4-methyl-valeric acid Formula: C16H19BrN2O3 MolecularWeight: 367.23766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN2O3/c1-10(2)7-13(16(21)22)18-15(20)9-19-6-5-11-3-4-12(17)8-14(11)19/h3-6,8,10,13H,7,9H2,1-2H3,(H,18,20)(H,21,22)/t13-/m0/s1