6-[5-methyl-2-oxidanylidene-4-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: 6-[5-methyl-2-oxidanylidene-4-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-6-[5-methyl-2-oxo-4-[2-(2-pyridylamino)ethylamino]pyrimidin-1-yl]hexanoic acid CAS Name: 6-[5-methyl-2-oxo-4-[2-(2-pyridinylamino)ethylamino]-1-pyrimidinyl]-2-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: 6-[5-methyl-2-oxo-4-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-6-[2-keto-5-methyl-4-[2-(2-pyridylamino)ethylamino]pyrimidin-1-yl]hexanoic acid Formula: C26H32N6O5 MolecularWeight: 508.56948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1NCCNC2=CC=CC=N2)CCCCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CN(C(=O)N=C1NCCNC2=CC=CC=N2)CCCCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H32N6O5/c1-19-17-32(25(35)31-23(19)29-15-14-28-22-12-5-7-13-27-22)16-8-6-11-21(24(33)34)30-26(36)37-18-20-9-3-2-4-10-20/h2-5,7,9-10,12-13,17,21H,6,8,11,14-16,18H2,1H3,(H,27,28)(H,30,36)(H,33,34)(H,29,31,35)