(2S)-2-[3-(5-bromanylindol-1-yl)propanoylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[3-(5-bromanylindol-1-yl)propanoylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[3-(5-bromoindol-1-yl)propanoylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[3-(5-bromo-1-indolyl)-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[3-(5-bromoindol-1-yl)propanoylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[3-(5-bromoindol-1-yl)propanoylamino]-4-methyl-valeric acid Formula: C17H21BrN2O3 MolecularWeight: 381.26424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)CCN1C=CC2=C1C=CC(=C2)Br

InChI

InChI=1S/C17H21BrN2O3/c1-11(2)9-14(17(22)23)19-16(21)6-8-20-7-5-12-10-13(18)3-4-15(12)20/h3-5,7,10-11,14H,6,8-9H2,1-2H3,(H,19,21)(H,22,23)/t14-/m0/s1