(2S)-2-[(5-bromanyl-2-oxidanylidene-indol-3-yl)amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[(5-bromanyl-2-oxidanylidene-indol-3-yl)amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(5-bromo-2-oxo-indol-3-yl)amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[(5-bromo-2-oxo-3-indolyl)amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(5-bromo-2-oxoindol-3-yl)amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(5-bromo-2-keto-indol-3-yl)amino]-3-methyl-butyric acid Formula: C13H13BrN2O3 MolecularWeight: 325.15792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1=C2C=C(C=CC2=NC1=O)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC1=C2C=C(C=CC2=NC1=O)Br

InChI

InChI=1S/C13H13BrN2O3/c1-6(2)10(13(18)19)16-11-8-5-7(14)3-4-9(8)15-12(11)17/h3-6,10H,1-2H3,(H,18,19)(H,15,16,17)/t10-/m0/s1