(2S)-2-azanyl-6-[(6-bromanyl-7-methoxy-2-oxidanylidene-chromen-4-yl)methoxycarbonyl-methyl-amino]hexanoic acid

Systemtic Name: (2S)-2-azanyl-6-[(6-bromanyl-7-methoxy-2-oxidanylidene-chromen-4-yl)methoxycarbonyl-methyl-amino]hexanoic acid Openeye Name: (2S)-2-amino-6-[(6-bromo-7-methoxy-2-oxo-chromen-4-yl)methoxycarbonyl-methyl-amino]hexanoic acid CAS Name: (2S)-2-amino-6-[[(6-bromo-7-methoxy-2-oxo-1-benzopyran-4-yl)methoxy-oxomethyl]-methylamino]hexanoic acid IUPAC Name: (2S)-2-amino-6-[(6-bromo-7-methoxy-2-oxochromen-4-yl)methoxycarbonyl-methylamino]hexanoic acid Traditional Name: (2S)-2-amino-6-[(6-bromo-2-keto-7-methoxy-chromen-4-yl)methoxycarbonyl-methyl-amino]hexanoic acid Formula: C19H23BrN2O7 MolecularWeight: 471.29912

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC(C(=O)O)N)C(=O)OCC1=CC(=O)OC2=CC(=C(C=C12)Br)OC

Isomeric SMILES

CN(CCCC[C@@H](C(=O)O)N)C(=O)OCC1=CC(=O)OC2=CC(=C(C=C12)Br)OC

InChI

InChI=1S/C19H23BrN2O7/c1-22(6-4-3-5-14(21)18(24)25)19(26)28-10-11-7-17(23)29-15-9-16(27-2)13(20)8-12(11)15/h7-9,14H,3-6,10,21H2,1-2H3,(H,24,25)/t14-/m0/s1