tert-butyl 2-[(4-methoxy-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)carbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: tert-butyl 2-[(4-methoxy-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)carbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: tert-butyl 6-(benzyloxycarbonylamino)-2-[(4-methoxy-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carbonyl)amino]hexanoate CAS Name: 2-[[(4-methoxy-1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-oxomethyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 6-(benzyloxycarbonylamino)-2-[(4-methoxy-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carbonyl)amino]hexanoic acid tert-butyl ester Formula: C28H37N5O6 MolecularWeight: 539.62328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)OC)C(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)OC)C(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C28H37N5O6/c1-18-22-23(37-6)20(16-30-24(22)33(5)32-18)25(34)31-21(26(35)39-28(2,3)4)14-10-11-15-29-27(36)38-17-19-12-8-7-9-13-19/h7-9,12-13,16,21H,10-11,14-15,17H2,1-6H3,(H,29,36)(H,31,34)