2-[3-(6-bromanylindol-1-yl)propanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[3-(6-bromanylindol-1-yl)propanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[3-(6-bromoindol-1-yl)propanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[3-(6-bromo-1-indolyl)-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[3-(6-bromoindol-1-yl)propanoylamino]-3-methylbutanoic acid Traditional Name: 2-[3-(6-bromoindol-1-yl)propanoylamino]-3-methyl-butyric acid Formula: C16H19BrN2O3 MolecularWeight: 367.23766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CCN1C=CC2=C1C=C(C=C2)Br

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CCN1C=CC2=C1C=C(C=C2)Br

InChI

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