About (2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-(3,3-diphenylpropanoyl)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-[3-(4-methylphenyl)propanoyl]-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-(3-phenylpropanoyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide
(2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-(3,3-diphenylpropanoyl)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-[3-(4-methylphenyl)propanoyl]-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-(3-phenylpropanoyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide (PubChem CID 158143991) has the molecular formula C126H182N12O20S4
and a molecular weight of 2313.17 g/mol. Its IUPAC name is (2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-(3,3-diphenylpropanoyl)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-[3-(4-methylphenyl)propanoyl]-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-(3-phenylpropanoyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide.
Frequently Asked Questions
What is the IUPAC name of (2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-(3,3-diphenylpropanoyl)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-[3-(4-methylphenyl)propanoyl]-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-(3-phenylpropanoyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide?
The IUPAC name of (2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-(3,3-diphenylpropanoyl)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-[3-(4-methylphenyl)propanoyl]-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-(3-phenylpropanoyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide (CID 158143991) is (2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-(3,3-diphenylpropanoyl)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-[3-(4-methylphenyl)propanoyl]-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-(3-phenylpropanoyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide.
What is the SMILES notation for (2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-(3,3-diphenylpropanoyl)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-[3-(4-methylphenyl)propanoyl]-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-(3-phenylpropanoyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide?
The canonical SMILES for (2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-(3,3-diphenylpropanoyl)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-[3-(4-methylphenyl)propanoyl]-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-(3-phenylpropanoyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide is CC[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](C(=O)CC(c1ccccc1)c1ccccc1)CN2S(C)(=O)=O)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](C(=O)CCc1ccc(C)cc1)CN2S(C)(=O)=O)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](C(=O)CCc1ccccc1)CN2S(C)(=O)=O)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](C(=O)C[C@@H]1CCCc3ccccc31)CN2S(C)(=O)=O)C1CCCCC1.
What is the InChIKey of (2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-(3,3-diphenylpropanoyl)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-[3-(4-methylphenyl)propanoyl]-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-(3-phenylpropanoyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide?
The InChIKey is FUHBKAMHIWBTBB-QZMDRVQXSA-N. The full InChI is InChI=1S/C35H47N3O5S.C32H47N3O5S.C30H45N3O5S.C29H43N3O5S/c1-4-24(2)34(40)36-32(27-18-12-7-13-19-27)35(41)37-21-20-30-33(37)29(23-38(30)44(3,42)43)31(39)22-28(25-14-8-5-9-15-25)26-16-10-6-11-17-26;1-4-21(2)31(37)33-29(23-12-6-5-7-13-23)32(38)34-18-17-27-30(34)26(20-35(27)41(3,39)40)28(36)19-24-15-10-14-22-11-8-9-16-25(22)24;1-5-21(3)29(35)31-27(23-9-7-6-8-10-23)30(36)32-18-17-25-28(32)24(19-33(25)39(4,37)38)26(34)16-15-22-13-11-20(2)12-14-22;1-4-20(2)28(34)30-26(22-13-9-6-10-14-22)29(35)31-18-17-24-27(31)23(19-32(24)38(3,36)37)25(33)16-15-21-11-7-5-8-12-21/h5-6,8-11,14-17,24,27-30,32-33H,4,7,12-13,18-23H2,1-3H3,(H,36,40);8-9,11,16,21,23-24,26-27,29-30H,4-7,10,12-15,17-20H2,1-3H3,(H,33,37);11-14,21,23-25,27-28H,5-10,15-19H2,1-4H3,(H,31,35);5,7-8,11-12,20,22-24,26-27H,4,6,9-10,13-19H2,1-3H3,(H,30,34)/t24-,29-,30-,32+,33-;21-,24+,26-,27-,29+,30-;21-,24-,25-,27+,28-;20-,23-,24-,26+,27-/m1111/s1.
What are the key properties of (2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-(3,3-diphenylpropanoyl)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-[3-(4-methylphenyl)propanoyl]-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-(3-phenylpropanoyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide?
(2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-(3,3-diphenylpropanoyl)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-[3-(4-methylphenyl)propanoyl]-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-(3-phenylpropanoyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide has a molecular weight of 2313.17 g/mol, XLogP of 15.42, 40 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-(3,3-diphenylpropanoyl)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-6-[3-(4-methylphenyl)propanoyl]-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-(3-phenylpropanoyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(3aR,6S,6aR)-4-methylsulfonyl-6-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide is sourced from PubChem (CID 158143991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).