(2R)-2-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

Systemtic Name: (2R)-2-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Openeye Name: (2R)-6-(tert-butoxycarbonylamino)-2-[(7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methylammonio]hexanoate CAS Name: (2R)-2-[(7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methylammonio]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoate IUPAC Name: (2R)-2-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methylazaniumyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Traditional Name: (2R)-6-(tert-butoxycarbonylamino)-2-[(7-hydroxy-2-keto-4-methyl-chromen-8-yl)methylammonio]hexanoate Formula: C22H30N2O7 MolecularWeight: 434.4828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(CCCCNC(=O)OC(C)(C)C)C(=O)[O-])O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C[NH2+][C@H](CCCCNC(=O)OC(C)(C)C)C(=O)[O-])O

InChI

InChI=1S/C22H30N2O7/c1-13-11-18(26)30-19-14(13)8-9-17(25)15(19)12-24-16(20(27)28)7-5-6-10-23-21(29)31-22(2,3)4/h8-9,11,16,24-25H,5-7,10,12H2,1-4H3,(H,23,29)(H,27,28)/t16-/m1/s1