ethyl (2S)-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]amino]propanoate

Systemtic Name: ethyl (2S)-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]amino]propanoate Openeye Name: ethyl (2S)-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]amino]propanoate CAS Name: (2S)-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]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-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]amino]propanoate Traditional Name: (2S)-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]amino]propionic acid ethyl ester Formula: C33H46N6O4 MolecularWeight: 590.75614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC1=NC(=C(C(=N1)C)C(=O)N2CC3CN(CC3C2)CCC(C4=CC=CC=C4)NC(=O)C5CCCC5)C

Isomeric SMILES

CCOC(=O)[C@H](C)NC1=NC(=C(C(=N1)C)C(=O)N2CC3CN(CC3C2)CC[C@@H](C4=CC=CC=C4)NC(=O)C5CCCC5)C

InChI

InChI=1S/C33H46N6O4/c1-5-43-32(42)23(4)36-33-34-21(2)29(22(3)35-33)31(41)39-19-26-17-38(18-27(26)20-39)16-15-28(24-11-7-6-8-12-24)37-30(40)25-13-9-10-14-25/h6-8,11-12,23,25-28H,5,9-10,13-20H2,1-4H3,(H,37,40)(H,34,35,36)/t23-,26?,27?,28-/m0/s1