(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]oxypropanoic 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]oxypropanoic 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]oxypropanoic 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]propanoic 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]oxypropanoic 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]oxypropionic acid Formula: C31H41N5O5 MolecularWeight: 563.68774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)OC(C)C(=O)O)C)C(=O)N2CC3CN(CC3C2)CCC(C4=CC=CC=C4)NC(=O)C5CCCC5

Isomeric SMILES

CC1=C(C(=NC(=N1)O[C@H](C)C(=O)O)C)C(=O)N2CC3CN(CC3C2)CC[C@@H](C4=CC=CC=C4)NC(=O)C5CCCC5

InChI

InChI=1S/C31H41N5O5/c1-19-27(20(2)33-31(32-19)41-21(3)30(39)40)29(38)36-17-24-15-35(16-25(24)18-36)14-13-26(22-9-5-4-6-10-22)34-28(37)23-11-7-8-12-23/h4-6,9-10,21,23-26H,7-8,11-18H2,1-3H3,(H,34,37)(H,39,40)/t21-,24?,25?,26+/m1/s1