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

Systemtic Name: 2-[3-(6-bromanylindol-1-yl)propanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[3-(6-bromoindol-1-yl)propanoylamino]-3-methyl-pentanoic acid CAS Name: 2-[[3-(6-bromo-1-indolyl)-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[3-(6-bromoindol-1-yl)propanoylamino]-3-methylpentanoic acid Traditional Name: 2-[3-(6-bromoindol-1-yl)propanoylamino]-3-methyl-valeric acid Formula: C17H21BrN2O3 MolecularWeight: 381.26424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O3/c1-3-11(2)16(17(22)23)19-15(21)7-9-20-8-6-12-4-5-13(18)10-14(12)20/h4-6,8,10-11,16H,3,7,9H2,1-2H3,(H,19,21)(H,22,23)