2-[[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-(2-methylpropoxycarbonylamino)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl]-3,6-difluorobenzoic acid;methyl (2S)-2-[[2-[[3-[[(3S)-2-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-2-azaspiro[4.4]nonane-3-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate;2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-[(4-methoxyphenyl)carbamoylamino]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate

C159H222F2N26O38 — CID 158278406

About 2-[[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-(2-methylpropoxycarbonylamino)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl]-3,6-difluorobenzoic acid;methyl (2S)-2-[[2-[[3-[[(3S)-2-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-2-azaspiro[4.4]nonane-3-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate;2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-[(4-methoxyphenyl)carbamoylamino]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate

2-[[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-(2-methylpropoxycarbonylamino)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl]-3,6-difluorobenzoic acid;methyl (2S)-2-[[2-[[3-[[(3S)-2-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-2-azaspiro[4.4]nonane-3-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate;2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-[(4-methoxyphenyl)carbamoylamino]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate (PubChem CID 158278406) has the molecular formula C159H222F2N26O38 and a molecular weight of 3143.66 g/mol. Its IUPAC name is 2-[[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-(2-methylpropoxycarbonylamino)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl]-3,6-difluorobenzoic acid;methyl (2S)-2-[[2-[[3-[[(3S)-2-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-2-azaspiro[4.4]nonane-3-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate;2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-[(4-methoxyphenyl)carbamoylamino]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: 2-[[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-(2-methylpropoxycarbonylamino)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl]-3,6-difluorobenzoic acid;methyl (2S)-2-[[2-[[3-[[(3S)-2-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-2-azaspiro[4.4]nonane-3-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate;2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-[(4-methoxyphenyl)carbamoylamino]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate
• PubChem CID: 158278406
• Molecular Formula: C159H222F2N26O38
• Molecular Weight: 3143.66 g/mol
• Exact Mass: 3141.62
• IUPAC Name: 2-[[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-(2-methylpropoxycarbonylamino)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl]-3,6-difluorobenzoic acid;methyl (2S)-2-[[2-[[3-[[(3S)-2-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-2-azaspiro[4.4]nonane-3-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate;2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-[(4-methoxyphenyl)carbamoylamino]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate
• SMILES: CCCC(NC(=O)[C@@H]1CC(C)(C)CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(N)=O)c1ccccc1.CCCC(NC(=O)[C@@H]1CC2(CCCC2)CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC)c1ccccc1.CCCC(NC(=O)[C@@H]1C[C@@H](NC(=O)Nc2ccc(OC)cc2)CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(N)=O)c1ccccc1.CCCC(NC(=O)[C@@H]1C[C@@H](NC(=O)OCC(C)C)CN1C(=O)[C@@H](NC(=O)c1c(F)ccc(F)c1C(=O)O)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(N)=O)c1ccccc1
• InChI: InChI=1S/C42H53F2N7O11.C42H58N8O10.C39H57N5O9.C36H54N6O8/c1-4-11-28(35(53)39(57)46-19-30(52)49-33(36(45)54)23-12-7-5-8-13-23)48-37(55)29-18-25(47-42(61)62-21-22(2)3)20-51(29)40(58)34(24-14-9-6-10-15-24)50-38(56)31-26(43)16-17-27(44)32(31)41(59)60;1-5-12-31(36(52)39(55)44-22-33(51)48-34(37(43)53)26-13-8-6-9-14-26)47-38(54)32-21-29(46-41(57)45-28-17-19-30(59-4)20-18-28)23-50(32)40(56)35(27-15-10-7-11-16-27)49-42(58)60-24-25(2)3;1-5-14-28(33(46)35(48)40-22-30(45)42-32(37(50)52-4)27-17-10-7-11-18-27)41-34(47)29-21-39(19-12-13-20-39)24-44(29)36(49)31(26-15-8-6-9-16-26)43-38(51)53-23-25(2)3;1-6-13-25(30(44)33(47)38-19-27(43)40-28(31(37)45)23-14-9-7-10-15-23)39-32(46)26-18-36(4,5)21-42(26)34(48)29(24-16-11-8-12-17-24)41-35(49)50-20-22(2)3/h5,7-8,12-13,16-17,22,24-25,28-29,33-34H,4,6,9-11,14-15,18-21H2,1-3H3,(H2,45,54)(H,46,57)(H,47,61)(H,48,55)(H,49,52)(H,50,56)(H,59,60);6,8-9,13-14,17-20,25,27,29,31-32,34-35H,5,7,10-12,15-16,21-24H2,1-4H3,(H2,43,53)(H,44,55)(H,47,54)(H,48,51)(H,49,58)(H2,45,46,57);7,10-11,17-18,25-26,28-29,31-32H,5-6,8-9,12-16,19-24H2,1-4H3,(H,40,48)(H,41,47)(H,42,45)(H,43,51);7,9-10,14-15,22,24-26,28-29H,6,8,11-13,16-21H2,1-5H3,(H2,37,45)(H,38,47)(H,39,46)(H,40,43)(H,41,49)/t25-,28?,29+,33+,34+;29-,31?,32+,34+,35+;28?,29-,31-,32-;25?,26-,28-,29-/m1100/s1
• InChIKey: GJXCSVLGIAYYCU-HEPNSWGZSA-N
• XLogP: 10.17
• TPSA: 924.37 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 37
• Rotatable Bonds: 70
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3143.66
LogP ≤ 5	10.17
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	37

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 2-[[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-(2-methylpropoxycarbonylamino)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl]-3,6-difluorobenzoic acid;methyl (2S)-2-[[2-[[3-[[(3S)-2-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-2-azaspiro[4.4]nonane-3-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate;2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-[(4-methoxyphenyl)carbamoylamino]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate?

The IUPAC name of 2-[[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-(2-methylpropoxycarbonylamino)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl]-3,6-difluorobenzoic acid;methyl (2S)-2-[[2-[[3-[[(3S)-2-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-2-azaspiro[4.4]nonane-3-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate;2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-[(4-methoxyphenyl)carbamoylamino]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate (CID 158278406) is 2-[[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-(2-methylpropoxycarbonylamino)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl]-3,6-difluorobenzoic acid;methyl (2S)-2-[[2-[[3-[[(3S)-2-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-2-azaspiro[4.4]nonane-3-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate;2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-[(4-methoxyphenyl)carbamoylamino]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate.

What is the SMILES notation for 2-[[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-(2-methylpropoxycarbonylamino)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl]-3,6-difluorobenzoic acid;methyl (2S)-2-[[2-[[3-[[(3S)-2-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-2-azaspiro[4.4]nonane-3-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate;2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-[(4-methoxyphenyl)carbamoylamino]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate?

The canonical SMILES for 2-[[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-(2-methylpropoxycarbonylamino)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl]-3,6-difluorobenzoic acid;methyl (2S)-2-[[2-[[3-[[(3S)-2-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-2-azaspiro[4.4]nonane-3-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate;2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-[(4-methoxyphenyl)carbamoylamino]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate is CCCC(NC(=O)[C@@H]1CC(C)(C)CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(N)=O)c1ccccc1.CCCC(NC(=O)[C@@H]1CC2(CCCC2)CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC)c1ccccc1.CCCC(NC(=O)[C@@H]1C[C@@H](NC(=O)Nc2ccc(OC)cc2)CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(N)=O)c1ccccc1.CCCC(NC(=O)[C@@H]1C[C@@H](NC(=O)OCC(C)C)CN1C(=O)[C@@H](NC(=O)c1c(F)ccc(F)c1C(=O)O)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(N)=O)c1ccccc1.

What is the InChIKey of 2-[[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-(2-methylpropoxycarbonylamino)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl]-3,6-difluorobenzoic acid;methyl (2S)-2-[[2-[[3-[[(3S)-2-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-2-azaspiro[4.4]nonane-3-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate;2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-[(4-methoxyphenyl)carbamoylamino]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate?

The InChIKey is GJXCSVLGIAYYCU-HEPNSWGZSA-N. The full InChI is InChI=1S/C42H53F2N7O11.C42H58N8O10.C39H57N5O9.C36H54N6O8/c1-4-11-28(35(53)39(57)46-19-30(52)49-33(36(45)54)23-12-7-5-8-13-23)48-37(55)29-18-25(47-42(61)62-21-22(2)3)20-51(29)40(58)34(24-14-9-6-10-15-24)50-38(56)31-26(43)16-17-27(44)32(31)41(59)60;1-5-12-31(36(52)39(55)44-22-33(51)48-34(37(43)53)26-13-8-6-9-14-26)47-38(54)32-21-29(46-41(57)45-28-17-19-30(59-4)20-18-28)23-50(32)40(56)35(27-15-10-7-11-16-27)49-42(58)60-24-25(2)3;1-5-14-28(33(46)35(48)40-22-30(45)42-32(37(50)52-4)27-17-10-7-11-18-27)41-34(47)29-21-39(19-12-13-20-39)24-44(29)36(49)31(26-15-8-6-9-16-26)43-38(51)53-23-25(2)3;1-6-13-25(30(44)33(47)38-19-27(43)40-28(31(37)45)23-14-9-7-10-15-23)39-32(46)26-18-36(4,5)21-42(26)34(48)29(24-16-11-8-12-17-24)41-35(49)50-20-22(2)3/h5,7-8,12-13,16-17,22,24-25,28-29,33-34H,4,6,9-11,14-15,18-21H2,1-3H3,(H2,45,54)(H,46,57)(H,47,61)(H,48,55)(H,49,52)(H,50,56)(H,59,60);6,8-9,13-14,17-20,25,27,29,31-32,34-35H,5,7,10-12,15-16,21-24H2,1-4H3,(H2,43,53)(H,44,55)(H,47,54)(H,48,51)(H,49,58)(H2,45,46,57);7,10-11,17-18,25-26,28-29,31-32H,5-6,8-9,12-16,19-24H2,1-4H3,(H,40,48)(H,41,47)(H,42,45)(H,43,51);7,9-10,14-15,22,24-26,28-29H,6,8,11-13,16-21H2,1-5H3,(H2,37,45)(H,38,47)(H,39,46)(H,40,43)(H,41,49)/t25-,28?,29+,33+,34+;29-,31?,32+,34+,35+;28?,29-,31-,32-;25?,26-,28-,29-/m1100/s1.

What are the key properties of 2-[[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-(2-methylpropoxycarbonylamino)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl]-3,6-difluorobenzoic acid;methyl (2S)-2-[[2-[[3-[[(3S)-2-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-2-azaspiro[4.4]nonane-3-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate;2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-[(4-methoxyphenyl)carbamoylamino]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate?

2-[[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-(2-methylpropoxycarbonylamino)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl]-3,6-difluorobenzoic acid;methyl (2S)-2-[[2-[[3-[[(3S)-2-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-2-azaspiro[4.4]nonane-3-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate;2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-[(4-methoxyphenyl)carbamoylamino]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate has a molecular weight of 3143.66 g/mol, XLogP of 10.17, 70 rotatable bonds, 23 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-(2-methylpropoxycarbonylamino)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl]-3,6-difluorobenzoic acid;methyl (2S)-2-[[2-[[3-[[(3S)-2-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-2-azaspiro[4.4]nonane-3-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate;2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-[(4-methoxyphenyl)carbamoylamino]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate is sourced from PubChem (CID 158278406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).