(2R)-2-[5-[[2-[(3S)-3-(cyclopentylcarbonylamino)-3-phenyl-propyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]carbonyl]-4,6-dimethyl-pyrimidin-2-yl]oxy-2-phenyl-ethanoic acid

Systemtic Name: (2R)-2-[5-[[2-[(3S)-3-(cyclopentylcarbonylamino)-3-phenyl-propyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]carbonyl]-4,6-dimethyl-pyrimidin-2-yl]oxy-2-phenyl-ethanoic acid Openeye Name: (2R)-2-[5-[2-[(3S)-3-(cyclopentanecarbonylamino)-3-phenyl-propyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4,6-dimethyl-pyrimidin-2-yl]oxy-2-phenyl-acetic acid CAS Name: (2R)-2-[[5-[[2-[(3S)-3-[[cyclopentyl(oxo)methyl]amino]-3-phenylpropyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-oxomethyl]-4,6-dimethyl-2-pyrimidinyl]oxy]-2-phenylacetic acid IUPAC Name: (2R)-2-[5-[2-[(3S)-3-(cyclopentanecarbonylamino)-3-phenylpropyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4,6-dimethylpyrimidin-2-yl]oxy-2-phenylacetic acid Traditional Name: (2R)-2-[5-[2-[(3S)-3-(cyclopentanecarbonylamino)-3-phenyl-propyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4,6-dimethyl-pyrimidin-2-yl]oxy-2-phenyl-acetic acid Formula: C36H43N5O5 MolecularWeight: 625.75712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)OC(C2=CC=CC=C2)C(=O)O)C)C(=O)N3CC4CN(CC4C3)CCC(C5=CC=CC=C5)NC(=O)C6CCCC6

Isomeric SMILES

CC1=C(C(=NC(=N1)O[C@H](C2=CC=CC=C2)C(=O)O)C)C(=O)N3CC4CN(CC4C3)CC[C@@H](C5=CC=CC=C5)NC(=O)C6CCCC6

InChI

InChI=1S/C36H43N5O5/c1-23-31(24(2)38-36(37-23)46-32(35(44)45)26-13-7-4-8-14-26)34(43)41-21-28-19-40(20-29(28)22-41)18-17-30(25-11-5-3-6-12-25)39-33(42)27-15-9-10-16-27/h3-8,11-14,27-30,32H,9-10,15-22H2,1-2H3,(H,39,42)(H,44,45)/t28?,29?,30-,32+/m0/s1