benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aS,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenoxy)amino]-4-oxohexanoyl]-6-(4-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-(2-aminoacetyl)-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 4-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-4-oxobutanoate

C137H176F4N16O27 — CID 158598266

About benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aS,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenoxy)amino]-4-oxohexanoyl]-6-(4-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-(2-aminoacetyl)-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 4-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-4-oxobutanoate

benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aS,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenoxy)amino]-4-oxohexanoyl]-6-(4-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-(2-aminoacetyl)-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 4-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-4-oxobutanoate (PubChem CID 158598266) has the molecular formula C137H176F4N16O27 and a molecular weight of 2554.99 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aS,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenoxy)amino]-4-oxohexanoyl]-6-(4-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-(2-aminoacetyl)-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 4-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-4-oxobutanoate.

Molecular Properties

• Compound Name: benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aS,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenoxy)amino]-4-oxohexanoyl]-6-(4-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-(2-aminoacetyl)-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 4-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-4-oxobutanoate
• PubChem CID: 158598266
• Molecular Formula: C137H176F4N16O27
• Molecular Weight: 2554.99 g/mol
• Exact Mass: 2553.28
• IUPAC Name: benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aS,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenoxy)amino]-4-oxohexanoyl]-6-(4-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-(2-aminoacetyl)-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 4-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-4-oxobutanoate
• SMILES: C[C@@H](C(=O)C[C@H](C(=O)N1CC[C@H]2C(C(=O)CNC(=O)C(=O)CCC(=O)N3C[C@H](Oc4ccc(F)cc4)[C@@H]4[C@H]3CCN4C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OCc3ccccc3)C(C)(C)C)C[C@H](Oc3ccc(F)cc3)[C@H]21)C(C)(C)C)N(C)Oc1ccccc1.C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](Oc1ccc(F)cc1)CN2C(=O)CCC(=O)OC(C)(C)C)C(C)(C)C)N(C)C(=O)OCc1ccccc1.C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](Oc1ccc(F)cc1)CN2C(=O)CN)C(C)(C)C)N(C)C(=O)OCc1ccccc1
• InChI: InChI=1S/C67H83F2N7O13.C38H51FN4O8.C32H42FN5O6/c1-40(73(10)89-47-19-15-12-16-20-47)53(78)36-50(66(3,4)5)63(83)74-33-31-48-49(35-55(58(48)74)87-45-25-21-43(68)22-26-45)54(79)37-70-62(82)52(77)29-30-57(80)76-38-56(88-46-27-23-44(69)24-28-46)59-51(76)32-34-75(59)64(84)60(67(6,7)8)71-61(81)41(2)72(9)65(85)86-39-42-17-13-11-14-18-42;1-24(41(8)36(48)49-23-25-12-10-9-11-13-25)34(46)40-33(37(2,3)4)35(47)42-21-20-28-32(42)29(50-27-16-14-26(39)15-17-27)22-43(28)30(44)18-19-31(45)51-38(5,6)7;1-20(36(5)31(42)43-19-21-9-7-6-8-10-21)29(40)35-28(32(2,3)4)30(41)37-16-15-24-27(37)25(18-38(24)26(39)17-34)44-23-13-11-22(33)12-14-23/h11-28,40-41,48-51,55-56,58-60H,29-39H2,1-10H3,(H,70,82)(H,71,81);9-17,24,28-29,32-33H,18-23H2,1-8H3,(H,40,46);6-14,20,24-25,27-28H,15-19,34H2,1-5H3,(H,35,40)/t40-,41-,48-,49?,50+,51+,55-,56-,58-,59-,60+;24-,28+,29-,32-,33+;20-,24+,25-,27-,28+/m000/s1
• InChIKey: HVHMFRSUEYDFFD-XELUZTEJSA-N
• XLogP: 14.59
• TPSA: 500.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 44
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2554.99
LogP ≤ 5	14.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aS,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenoxy)amino]-4-oxohexanoyl]-6-(4-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-(2-aminoacetyl)-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 4-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-4-oxobutanoate?

The IUPAC name of benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aS,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenoxy)amino]-4-oxohexanoyl]-6-(4-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-(2-aminoacetyl)-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 4-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-4-oxobutanoate (CID 158598266) is benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aS,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenoxy)amino]-4-oxohexanoyl]-6-(4-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-(2-aminoacetyl)-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 4-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-4-oxobutanoate.

What is the SMILES notation for benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aS,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenoxy)amino]-4-oxohexanoyl]-6-(4-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-(2-aminoacetyl)-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 4-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-4-oxobutanoate?

The canonical SMILES for benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aS,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenoxy)amino]-4-oxohexanoyl]-6-(4-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-(2-aminoacetyl)-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 4-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-4-oxobutanoate is C[C@@H](C(=O)C[C@H](C(=O)N1CC[C@H]2C(C(=O)CNC(=O)C(=O)CCC(=O)N3C[C@H](Oc4ccc(F)cc4)[C@@H]4[C@H]3CCN4C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OCc3ccccc3)C(C)(C)C)C[C@H](Oc3ccc(F)cc3)[C@H]21)C(C)(C)C)N(C)Oc1ccccc1.C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](Oc1ccc(F)cc1)CN2C(=O)CCC(=O)OC(C)(C)C)C(C)(C)C)N(C)C(=O)OCc1ccccc1.C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](Oc1ccc(F)cc1)CN2C(=O)CN)C(C)(C)C)N(C)C(=O)OCc1ccccc1.

What is the InChIKey of benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aS,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenoxy)amino]-4-oxohexanoyl]-6-(4-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-(2-aminoacetyl)-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 4-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-4-oxobutanoate?

The InChIKey is HVHMFRSUEYDFFD-XELUZTEJSA-N. The full InChI is InChI=1S/C67H83F2N7O13.C38H51FN4O8.C32H42FN5O6/c1-40(73(10)89-47-19-15-12-16-20-47)53(78)36-50(66(3,4)5)63(83)74-33-31-48-49(35-55(58(48)74)87-45-25-21-43(68)22-26-45)54(79)37-70-62(82)52(77)29-30-57(80)76-38-56(88-46-27-23-44(69)24-28-46)59-51(76)32-34-75(59)64(84)60(67(6,7)8)71-61(81)41(2)72(9)65(85)86-39-42-17-13-11-14-18-42;1-24(41(8)36(48)49-23-25-12-10-9-11-13-25)34(46)40-33(37(2,3)4)35(47)42-21-20-28-32(42)29(50-27-16-14-26(39)15-17-27)22-43(28)30(44)18-19-31(45)51-38(5,6)7;1-20(36(5)31(42)43-19-21-9-7-6-8-10-21)29(40)35-28(32(2,3)4)30(41)37-16-15-24-27(37)25(18-38(24)26(39)17-34)44-23-13-11-22(33)12-14-23/h11-28,40-41,48-51,55-56,58-60H,29-39H2,1-10H3,(H,70,82)(H,71,81);9-17,24,28-29,32-33H,18-23H2,1-8H3,(H,40,46);6-14,20,24-25,27-28H,15-19,34H2,1-5H3,(H,35,40)/t40-,41-,48-,49?,50+,51+,55-,56-,58-,59-,60+;24-,28+,29-,32-,33+;20-,24+,25-,27-,28+/m000/s1.

What are the key properties of benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aS,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenoxy)amino]-4-oxohexanoyl]-6-(4-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-(2-aminoacetyl)-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 4-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-4-oxobutanoate?

benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aS,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenoxy)amino]-4-oxohexanoyl]-6-(4-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-(2-aminoacetyl)-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 4-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-4-oxobutanoate has a molecular weight of 2554.99 g/mol, XLogP of 14.59, 44 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aS,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenoxy)amino]-4-oxohexanoyl]-6-(4-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-(2-aminoacetyl)-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 4-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-4-oxobutanoate is sourced from PubChem (CID 158598266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).