(2S)-2-[(3-bromanyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[(3-bromanyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(3-bromo-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[(3-bromo-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methylamino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(3-bromo-7-hydroxy-4-methyl-2-oxochromen-8-yl)methylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(3-bromo-7-hydroxy-2-keto-4-methyl-chromen-8-yl)methylamino]-3-methyl-butyric acid Formula: C16H18BrNO5 MolecularWeight: 384.22182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2CNC(C(C)C)C(=O)O)O)Br

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2CN[C@@H](C(C)C)C(=O)O)O)Br

InChI

InChI=1S/C16H18BrNO5/c1-7(2)13(15(20)21)18-6-10-11(19)5-4-9-8(3)12(17)16(22)23-14(9)10/h4-5,7,13,18-19H,6H2,1-3H3,(H,20,21)/t13-/m0/s1