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

Systemtic Name: (2S,3R)-2-[(5-bromanyl-2-oxidanylidene-indol-3-yl)amino]-3-oxidanyl-butanoic acid Openeye Name: (2S,3R)-2-[(5-bromo-2-oxo-indol-3-yl)amino]-3-hydroxy-butanoic acid CAS Name: (2S,3R)-2-[(5-bromo-2-oxo-3-indolyl)amino]-3-hydroxybutanoic acid IUPAC Name: (2S,3R)-2-[(5-bromo-2-oxoindol-3-yl)amino]-3-hydroxybutanoic acid Traditional Name: (2S,3R)-2-[(5-bromo-2-keto-indol-3-yl)amino]-3-hydroxy-butyric acid Formula: C12H11BrN2O4 MolecularWeight: 327.13074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrN2O4/c1-5(16)9(12(18)19)15-10-7-4-6(13)2-3-8(7)14-11(10)17/h2-5,9,16H,1H3,(H,18,19)(H,14,15,17)/t5-,9+/m1/s1