N-[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]-5-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2,5-dioxopentanamide;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenylmethoxycarbonyl)amino]-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-[(4-fluorophenyl)methoxy]-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-fluorophenyl)methoxy]-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

C158H209F5N20O30 — CID 160995072

About N-[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]-5-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2,5-dioxopentanamide;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenylmethoxycarbonyl)amino]-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-[(4-fluorophenyl)methoxy]-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-fluorophenyl)methoxy]-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

N-[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]-5-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2,5-dioxopentanamide;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenylmethoxycarbonyl)amino]-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-[(4-fluorophenyl)methoxy]-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-fluorophenyl)methoxy]-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 (PubChem CID 160995072) has the molecular formula C158H209F5N20O30 and a molecular weight of 2963.51 g/mol. Its IUPAC name is N-[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]-5-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2,5-dioxopentanamide;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenylmethoxycarbonyl)amino]-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-[(4-fluorophenyl)methoxy]-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-fluorophenyl)methoxy]-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.

Molecular Properties

• Compound Name: N-[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]-5-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2,5-dioxopentanamide;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenylmethoxycarbonyl)amino]-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-[(4-fluorophenyl)methoxy]-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-fluorophenyl)methoxy]-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
• PubChem CID: 160995072
• Molecular Formula: C158H209F5N20O30
• Molecular Weight: 2963.51 g/mol
• Exact Mass: 2961.54
• IUPAC Name: N-[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]-5-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2,5-dioxopentanamide;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenylmethoxycarbonyl)amino]-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-[(4-fluorophenyl)methoxy]-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-fluorophenyl)methoxy]-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
• SMILES: CC[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](OCc1ccc(F)cc1)CN2C(=O)CCC(=O)C(=O)NCC(=O)N1C[C@H](OCc2ccc(F)cc2)[C@@H]2[C@H]1CCN2C(=O)[C@@H](CC(=O)[C@H](C)NC)C(C)(C)C)C(C)(C)C.C[C@@H](C(=O)C[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](OCc1ccc(F)cc1)CN2C(=O)CNC(=O)C(=O)CCC(=O)N1C[C@H](OCc2ccc(F)cc2)[C@@H]2[C@H]1CCN2C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OCc1ccccc1)C(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](OCc1ccc(F)cc1)CN2C(=O)CN)C(C)(C)C)N(C)C(=O)OCc1ccccc1
• InChI: InChI=1S/C70H88F2N8O14.C55H77F2N7O10.C33H44FN5O6/c1-43(75(9)67(89)93-41-45-17-13-11-14-18-45)55(82)35-51(69(3,4)5)65(87)77-33-31-53-60(77)57(92-40-48-23-27-50(72)28-24-48)38-80(53)59(84)36-73-64(86)54(81)29-30-58(83)79-37-56(91-39-47-21-25-49(71)26-22-47)61-52(79)32-34-78(61)66(88)62(70(6,7)8)74-63(85)44(2)76(10)68(90)94-42-46-19-15-12-16-20-46;1-11-32(2)50(69)60-49(55(7,8)9)53(72)62-25-23-39-48(62)43(73-30-34-12-16-36(56)17-13-34)28-63(39)45(67)21-20-41(65)51(70)59-27-46(68)64-29-44(74-31-35-14-18-37(57)19-15-35)47-40(64)22-24-61(47)52(71)38(54(4,5)6)26-42(66)33(3)58-10;1-21(37(5)32(43)45-20-22-9-7-6-8-10-22)30(41)36-29(33(2,3)4)31(42)38-16-15-25-28(38)26(18-39(25)27(40)17-35)44-19-23-11-13-24(34)14-12-23/h11-28,43-44,51-53,56-57,60-62H,29-42H2,1-10H3,(H,73,86)(H,74,85);12-19,32-33,38-40,43-44,47-49,58H,11,20-31H2,1-10H3,(H,59,70)(H,60,69);6-14,21,25-26,28-29H,15-20,35H2,1-5H3,(H,36,41)/t43-,44-,51+,52+,53+,56-,57-,60-,61-,62+;32-,33+,38-,39-,40-,43+,44+,47+,48+,49-;21-,25+,26-,28-,29+/m010/s1
• InChIKey: TVDCYHHKOMELJM-HRVCJAKNSA-N
• XLogP: 13.99
• TPSA: 589.70 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 56
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2963.51
LogP ≤ 5	13.99
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]-5-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2,5-dioxopentanamide;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenylmethoxycarbonyl)amino]-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-[(4-fluorophenyl)methoxy]-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-fluorophenyl)methoxy]-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?

The IUPAC name of N-[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]-5-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2,5-dioxopentanamide;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenylmethoxycarbonyl)amino]-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-[(4-fluorophenyl)methoxy]-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-fluorophenyl)methoxy]-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 (CID 160995072) is N-[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]-5-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2,5-dioxopentanamide;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenylmethoxycarbonyl)amino]-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-[(4-fluorophenyl)methoxy]-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-fluorophenyl)methoxy]-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.

What is the SMILES notation for N-[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]-5-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2,5-dioxopentanamide;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenylmethoxycarbonyl)amino]-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-[(4-fluorophenyl)methoxy]-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-fluorophenyl)methoxy]-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?

The canonical SMILES for N-[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]-5-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2,5-dioxopentanamide;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenylmethoxycarbonyl)amino]-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-[(4-fluorophenyl)methoxy]-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-fluorophenyl)methoxy]-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 is CC[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](OCc1ccc(F)cc1)CN2C(=O)CCC(=O)C(=O)NCC(=O)N1C[C@H](OCc2ccc(F)cc2)[C@@H]2[C@H]1CCN2C(=O)[C@@H](CC(=O)[C@H](C)NC)C(C)(C)C)C(C)(C)C.C[C@@H](C(=O)C[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](OCc1ccc(F)cc1)CN2C(=O)CNC(=O)C(=O)CCC(=O)N1C[C@H](OCc2ccc(F)cc2)[C@@H]2[C@H]1CCN2C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OCc1ccccc1)C(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](OCc1ccc(F)cc1)CN2C(=O)CN)C(C)(C)C)N(C)C(=O)OCc1ccccc1.

What is the InChIKey of N-[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]-5-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2,5-dioxopentanamide;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenylmethoxycarbonyl)amino]-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-[(4-fluorophenyl)methoxy]-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-fluorophenyl)methoxy]-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?

The InChIKey is TVDCYHHKOMELJM-HRVCJAKNSA-N. The full InChI is InChI=1S/C70H88F2N8O14.C55H77F2N7O10.C33H44FN5O6/c1-43(75(9)67(89)93-41-45-17-13-11-14-18-45)55(82)35-51(69(3,4)5)65(87)77-33-31-53-60(77)57(92-40-48-23-27-50(72)28-24-48)38-80(53)59(84)36-73-64(86)54(81)29-30-58(83)79-37-56(91-39-47-21-25-49(71)26-22-47)61-52(79)32-34-78(61)66(88)62(70(6,7)8)74-63(85)44(2)76(10)68(90)94-42-46-19-15-12-16-20-46;1-11-32(2)50(69)60-49(55(7,8)9)53(72)62-25-23-39-48(62)43(73-30-34-12-16-36(56)17-13-34)28-63(39)45(67)21-20-41(65)51(70)59-27-46(68)64-29-44(74-31-35-14-18-37(57)19-15-35)47-40(64)22-24-61(47)52(71)38(54(4,5)6)26-42(66)33(3)58-10;1-21(37(5)32(43)45-20-22-9-7-6-8-10-22)30(41)36-29(33(2,3)4)31(42)38-16-15-25-28(38)26(18-39(25)27(40)17-35)44-19-23-11-13-24(34)14-12-23/h11-28,43-44,51-53,56-57,60-62H,29-42H2,1-10H3,(H,73,86)(H,74,85);12-19,32-33,38-40,43-44,47-49,58H,11,20-31H2,1-10H3,(H,59,70)(H,60,69);6-14,21,25-26,28-29H,15-20,35H2,1-5H3,(H,36,41)/t43-,44-,51+,52+,53+,56-,57-,60-,61-,62+;32-,33+,38-,39-,40-,43+,44+,47+,48+,49-;21-,25+,26-,28-,29+/m010/s1.

What are the key properties of N-[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]-5-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2,5-dioxopentanamide;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenylmethoxycarbonyl)amino]-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-[(4-fluorophenyl)methoxy]-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-fluorophenyl)methoxy]-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?

N-[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]-5-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2,5-dioxopentanamide;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenylmethoxycarbonyl)amino]-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-[(4-fluorophenyl)methoxy]-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-fluorophenyl)methoxy]-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 has a molecular weight of 2963.51 g/mol, XLogP of 13.99, 56 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-(methylamino)-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]-5-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2,5-dioxopentanamide;benzyl N-[(2S)-1-[[(2S)-1-[(3aR,6S,6aS)-4-[5-[[2-[(3aR,6S,6aS)-1-[(2S,5S)-2-tert-butyl-5-[methyl(phenylmethoxycarbonyl)amino]-4-oxohexanoyl]-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]amino]-4,5-dioxopentanoyl]-6-[(4-fluorophenyl)methoxy]-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-fluorophenyl)methoxy]-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 is sourced from PubChem (CID 160995072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).