[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]methyl 3-methyl-2,6-bis(oxidanyl)benzoate

Systemtic Name: [6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]methyl 3-methyl-2,6-bis(oxidanyl)benzoate Openeye Name: [6-(tert-butoxycarbonylamino)hexanoylamino]methyl 2,6-dihydroxy-3-methyl-benzoate CAS Name: 2,6-dihydroxy-3-methylbenzoic acid [[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]methyl ester IUPAC Name: [6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]methyl 2,6-dihydroxy-3-methylbenzoate Traditional Name: 2,6-dihydroxy-3-methyl-benzoic acid [6-(tert-butoxycarbonylamino)hexanoylamino]methyl ester Formula: C20H30N2O7 MolecularWeight: 410.4614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)O)C(=O)OCNC(=O)CCCCCNC(=O)OC(C)(C)C)O

Isomeric SMILES

CC1=C(C(=C(C=C1)O)C(=O)OCNC(=O)CCCCCNC(=O)OC(C)(C)C)O

InChI

InChI=1S/C20H30N2O7/c1-13-9-10-14(23)16(17(13)25)18(26)28-12-22-15(24)8-6-5-7-11-21-19(27)29-20(2,3)4/h9-10,23,25H,5-8,11-12H2,1-4H3,(H,21,27)(H,22,24)