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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C(=C2)Br)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NCC1=C(C=CC2=C1OC(=O)C(=C2)Br)O

InChI

InChI=1S/C16H18BrNO5/c1-8(2)5-12(15(20)21)18-7-10-13(19)4-3-9-6-11(17)16(22)23-14(9)10/h3-4,6,8,12,18-19H,5,7H2,1-2H3,(H,20,21)/t12-/m0/s1