(3R)-4-[5-methyl-2-oxidanylidene-4-[4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: (3R)-4-[5-methyl-2-oxidanylidene-4-[4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: (3R)-3-(benzyloxycarbonylamino)-4-[5-methyl-2-oxo-4-[4-[(pyrimidin-2-ylamino)methyl]-1-piperidyl]pyrimidin-1-yl]butanoic acid CAS Name: (3R)-4-[5-methyl-2-oxo-4-[4-[(2-pyrimidinylamino)methyl]-1-piperidinyl]-1-pyrimidinyl]-3-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: (3R)-4-[5-methyl-2-oxo-4-[4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: (3R)-3-(benzyloxycarbonylamino)-4-[2-keto-5-methyl-4-[4-[(2-pyrimidylamino)methyl]piperidino]pyrimidin-1-yl]butyric acid Formula: C27H33N7O5 MolecularWeight: 535.59482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1N2CCC(CC2)CNC3=NC=CC=N3)CC(CC(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CN(C(=O)N=C1N2CCC(CC2)CNC3=NC=CC=N3)C[C@@H](CC(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H33N7O5/c1-19-16-34(17-22(14-23(35)36)31-27(38)39-18-21-6-3-2-4-7-21)26(37)32-24(19)33-12-8-20(9-13-33)15-30-25-28-10-5-11-29-25/h2-7,10-11,16,20,22H,8-9,12-15,17-18H2,1H3,(H,31,38)(H,35,36)(H,28,29,30)/t22-/m1/s1