(2R,6S)-6-acetamido-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]-10-(methylamino)-5-oxodecanoic acid;(2R)-3-[3-[2-[2-[2-[(5S)-5-acetamido-9-(methylamino)-4-oxononoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]propanoic acid;(2S)-N-[(5S)-5-acetamido-9-(methylamino)-4-oxononyl]-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanamide;(2R,5S)-5-[[(2S,5S)-5-acetamido-9-(methylamino)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-[2-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]ethyl]-4-oxohexanoic acid

C180H254F8N24O32 — CID 159942267

About (2R,6S)-6-acetamido-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]-10-(methylamino)-5-oxodecanoic acid;(2R)-3-[3-[2-[2-[2-[(5S)-5-acetamido-9-(methylamino)-4-oxononoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]propanoic acid;(2S)-N-[(5S)-5-acetamido-9-(methylamino)-4-oxononyl]-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanamide;(2R,5S)-5-[[(2S,5S)-5-acetamido-9-(methylamino)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-[2-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]ethyl]-4-oxohexanoic acid

(2R,6S)-6-acetamido-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]-10-(methylamino)-5-oxodecanoic acid;(2R)-3-[3-[2-[2-[2-[(5S)-5-acetamido-9-(methylamino)-4-oxononoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]propanoic acid;(2S)-N-[(5S)-5-acetamido-9-(methylamino)-4-oxononyl]-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanamide;(2R,5S)-5-[[(2S,5S)-5-acetamido-9-(methylamino)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-[2-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]ethyl]-4-oxohexanoic acid (PubChem CID 159942267) has the molecular formula C180H254F8N24O32 and a molecular weight of 3418.13 g/mol. Its IUPAC name is (2R,6S)-6-acetamido-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]-10-(methylamino)-5-oxodecanoic acid;(2R)-3-[3-[2-[2-[2-[(5S)-5-acetamido-9-(methylamino)-4-oxononoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]propanoic acid;(2S)-N-[(5S)-5-acetamido-9-(methylamino)-4-oxononyl]-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanamide;(2R,5S)-5-[[(2S,5S)-5-acetamido-9-(methylamino)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-[2-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]ethyl]-4-oxohexanoic acid.

Molecular Properties

• Compound Name: (2R,6S)-6-acetamido-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]-10-(methylamino)-5-oxodecanoic acid;(2R)-3-[3-[2-[2-[2-[(5S)-5-acetamido-9-(methylamino)-4-oxononoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]propanoic acid;(2S)-N-[(5S)-5-acetamido-9-(methylamino)-4-oxononyl]-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanamide;(2R,5S)-5-[[(2S,5S)-5-acetamido-9-(methylamino)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-[2-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]ethyl]-4-oxohexanoic acid
• PubChem CID: 159942267
• Molecular Formula: C180H254F8N24O32
• Molecular Weight: 3418.13 g/mol
• Exact Mass: 3415.89
• IUPAC Name: (2R,6S)-6-acetamido-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]-10-(methylamino)-5-oxodecanoic acid;(2R)-3-[3-[2-[2-[2-[(5S)-5-acetamido-9-(methylamino)-4-oxononoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]propanoic acid;(2S)-N-[(5S)-5-acetamido-9-(methylamino)-4-oxononyl]-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanamide;(2R,5S)-5-[[(2S,5S)-5-acetamido-9-(methylamino)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-[2-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]ethyl]-4-oxohexanoic acid
• SMILES: CNCCCC[C@H](NC(C)=O)C(=O)CCCNC(=O)[C@@H](N)CCN(C(=O)CO)[C@@H](c1cc(-c2cc(F)ccc2F)cn1Cc1ccccc1)C(C)(C)C.CNCCCC[C@H](NC(C)=O)C(=O)CCCOCCOCCOCCOCCC(=O)NC[C@@H](NC(=O)[C@@H](N)CCN(C(=O)CO)[C@@H](c1cc(-c2cc(F)ccc2F)cn1Cc1ccccc1)C(C)(C)C)C(=O)O.CNCCCC[C@H](NC(C)=O)C(=O)CC[C@@H](NC(=O)[C@@H](N)CCN(C(=O)CO)[C@@H](c1cc(-c2cc(F)ccc2F)cn1Cc1ccccc1)C(C)(C)C)C(=O)O.CNCCCC[C@H](NC(C)=O)C(=O)C[C@H](C(=O)N[C@@H](C)C(=O)C[C@@H](CCN(C(=O)CO)[C@@H](c1cc(-c2cc(F)ccc2F)cn1Cc1ccccc1)C(C)(C)C)C(=O)O)C(C)C
• InChI: InChI=1S/C52H77F2N7O12.C47H65F2N5O8.C41H56F2N6O7.C40H56F2N6O5/c1-36(63)58-43(14-9-10-20-56-5)46(64)15-11-22-70-24-26-72-28-29-73-27-25-71-23-19-47(65)57-32-44(51(68)69)59-50(67)42(55)18-21-61(48(66)35-62)49(52(2,3)4)45-30-38(40-31-39(53)16-17-41(40)54)34-60(45)33-37-12-7-6-8-13-37;1-29(2)36(25-42(58)39(52-31(4)56)16-12-13-20-50-8)45(60)51-30(3)41(57)23-33(46(61)62)19-21-54(43(59)28-55)44(47(5,6)7)40-22-34(37-24-35(48)17-18-38(37)49)27-53(40)26-32-14-10-9-11-15-32;1-26(51)46-33(13-9-10-19-45-5)36(52)17-16-34(40(55)56)47-39(54)32(44)18-20-49(37(53)25-50)38(41(2,3)4)35-21-28(30-22-29(42)14-15-31(30)43)24-48(35)23-27-11-7-6-8-12-27;1-27(50)46-34(14-9-10-19-44-5)36(51)15-11-20-45-39(53)33(43)18-21-48(37(52)26-49)38(40(2,3)4)35-22-29(31-23-30(41)16-17-32(31)42)25-47(35)24-28-12-7-6-8-13-28/h6-8,12-13,16-17,30-31,34,42-44,49,56,62H,9-11,14-15,18-29,32-33,35,55H2,1-5H3,(H,57,65)(H,58,63)(H,59,67)(H,68,69);9-11,14-15,17-18,22,24,27,29-30,33,36,39,44,50,55H,12-13,16,19-21,23,25-26,28H2,1-8H3,(H,51,60)(H,52,56)(H,61,62);6-8,11-12,14-15,21-22,24,32-34,38,45,50H,9-10,13,16-20,23,25,44H2,1-5H3,(H,46,51)(H,47,54)(H,55,56);6-8,12-13,16-17,22-23,25,33-34,38,44,49H,9-11,14-15,18-21,24,26,43H2,1-5H3,(H,45,53)(H,46,50)/t42-,43-,44+,49-;30-,33+,36-,39-,44-;32-,33-,34+,38-;33-,34-,38-/m0000/s1
• InChIKey: OBALLJPINUTPQB-VJPQKWDKSA-N
• XLogP: 17.95
• TPSA: 804.13 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 40
• Rotatable Bonds: 105
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3418.13
LogP ≤ 5	17.95
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-6-acetamido-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]-10-(methylamino)-5-oxodecanoic acid;(2R)-3-[3-[2-[2-[2-[(5S)-5-acetamido-9-(methylamino)-4-oxononoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]propanoic acid;(2S)-N-[(5S)-5-acetamido-9-(methylamino)-4-oxononyl]-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanamide;(2R,5S)-5-[[(2S,5S)-5-acetamido-9-(methylamino)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-[2-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]ethyl]-4-oxohexanoic acid?

The IUPAC name of (2R,6S)-6-acetamido-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]-10-(methylamino)-5-oxodecanoic acid;(2R)-3-[3-[2-[2-[2-[(5S)-5-acetamido-9-(methylamino)-4-oxononoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]propanoic acid;(2S)-N-[(5S)-5-acetamido-9-(methylamino)-4-oxononyl]-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanamide;(2R,5S)-5-[[(2S,5S)-5-acetamido-9-(methylamino)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-[2-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]ethyl]-4-oxohexanoic acid (CID 159942267) is (2R,6S)-6-acetamido-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]-10-(methylamino)-5-oxodecanoic acid;(2R)-3-[3-[2-[2-[2-[(5S)-5-acetamido-9-(methylamino)-4-oxononoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]propanoic acid;(2S)-N-[(5S)-5-acetamido-9-(methylamino)-4-oxononyl]-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanamide;(2R,5S)-5-[[(2S,5S)-5-acetamido-9-(methylamino)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-[2-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]ethyl]-4-oxohexanoic acid.

What is the SMILES notation for (2R,6S)-6-acetamido-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]-10-(methylamino)-5-oxodecanoic acid;(2R)-3-[3-[2-[2-[2-[(5S)-5-acetamido-9-(methylamino)-4-oxononoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]propanoic acid;(2S)-N-[(5S)-5-acetamido-9-(methylamino)-4-oxononyl]-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanamide;(2R,5S)-5-[[(2S,5S)-5-acetamido-9-(methylamino)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-[2-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]ethyl]-4-oxohexanoic acid?

The canonical SMILES for (2R,6S)-6-acetamido-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]-10-(methylamino)-5-oxodecanoic acid;(2R)-3-[3-[2-[2-[2-[(5S)-5-acetamido-9-(methylamino)-4-oxononoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]propanoic acid;(2S)-N-[(5S)-5-acetamido-9-(methylamino)-4-oxononyl]-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanamide;(2R,5S)-5-[[(2S,5S)-5-acetamido-9-(methylamino)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-[2-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]ethyl]-4-oxohexanoic acid is CNCCCC[C@H](NC(C)=O)C(=O)CCCNC(=O)[C@@H](N)CCN(C(=O)CO)[C@@H](c1cc(-c2cc(F)ccc2F)cn1Cc1ccccc1)C(C)(C)C.CNCCCC[C@H](NC(C)=O)C(=O)CCCOCCOCCOCCOCCC(=O)NC[C@@H](NC(=O)[C@@H](N)CCN(C(=O)CO)[C@@H](c1cc(-c2cc(F)ccc2F)cn1Cc1ccccc1)C(C)(C)C)C(=O)O.CNCCCC[C@H](NC(C)=O)C(=O)CC[C@@H](NC(=O)[C@@H](N)CCN(C(=O)CO)[C@@H](c1cc(-c2cc(F)ccc2F)cn1Cc1ccccc1)C(C)(C)C)C(=O)O.CNCCCC[C@H](NC(C)=O)C(=O)C[C@H](C(=O)N[C@@H](C)C(=O)C[C@@H](CCN(C(=O)CO)[C@@H](c1cc(-c2cc(F)ccc2F)cn1Cc1ccccc1)C(C)(C)C)C(=O)O)C(C)C.

What is the InChIKey of (2R,6S)-6-acetamido-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]-10-(methylamino)-5-oxodecanoic acid;(2R)-3-[3-[2-[2-[2-[(5S)-5-acetamido-9-(methylamino)-4-oxononoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]propanoic acid;(2S)-N-[(5S)-5-acetamido-9-(methylamino)-4-oxononyl]-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanamide;(2R,5S)-5-[[(2S,5S)-5-acetamido-9-(methylamino)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-[2-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]ethyl]-4-oxohexanoic acid?

The InChIKey is OBALLJPINUTPQB-VJPQKWDKSA-N. The full InChI is InChI=1S/C52H77F2N7O12.C47H65F2N5O8.C41H56F2N6O7.C40H56F2N6O5/c1-36(63)58-43(14-9-10-20-56-5)46(64)15-11-22-70-24-26-72-28-29-73-27-25-71-23-19-47(65)57-32-44(51(68)69)59-50(67)42(55)18-21-61(48(66)35-62)49(52(2,3)4)45-30-38(40-31-39(53)16-17-41(40)54)34-60(45)33-37-12-7-6-8-13-37;1-29(2)36(25-42(58)39(52-31(4)56)16-12-13-20-50-8)45(60)51-30(3)41(57)23-33(46(61)62)19-21-54(43(59)28-55)44(47(5,6)7)40-22-34(37-24-35(48)17-18-38(37)49)27-53(40)26-32-14-10-9-11-15-32;1-26(51)46-33(13-9-10-19-45-5)36(52)17-16-34(40(55)56)47-39(54)32(44)18-20-49(37(53)25-50)38(41(2,3)4)35-21-28(30-22-29(42)14-15-31(30)43)24-48(35)23-27-11-7-6-8-12-27;1-27(50)46-34(14-9-10-19-44-5)36(51)15-11-20-45-39(53)33(43)18-21-48(37(52)26-49)38(40(2,3)4)35-22-29(31-23-30(41)16-17-32(31)42)25-47(35)24-28-12-7-6-8-13-28/h6-8,12-13,16-17,30-31,34,42-44,49,56,62H,9-11,14-15,18-29,32-33,35,55H2,1-5H3,(H,57,65)(H,58,63)(H,59,67)(H,68,69);9-11,14-15,17-18,22,24,27,29-30,33,36,39,44,50,55H,12-13,16,19-21,23,25-26,28H2,1-8H3,(H,51,60)(H,52,56)(H,61,62);6-8,11-12,14-15,21-22,24,32-34,38,45,50H,9-10,13,16-20,23,25,44H2,1-5H3,(H,46,51)(H,47,54)(H,55,56);6-8,12-13,16-17,22-23,25,33-34,38,44,49H,9-11,14-15,18-21,24,26,43H2,1-5H3,(H,45,53)(H,46,50)/t42-,43-,44+,49-;30-,33+,36-,39-,44-;32-,33-,34+,38-;33-,34-,38-/m0000/s1.

What are the key properties of (2R,6S)-6-acetamido-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]-10-(methylamino)-5-oxodecanoic acid;(2R)-3-[3-[2-[2-[2-[(5S)-5-acetamido-9-(methylamino)-4-oxononoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]propanoic acid;(2S)-N-[(5S)-5-acetamido-9-(methylamino)-4-oxononyl]-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanamide;(2R,5S)-5-[[(2S,5S)-5-acetamido-9-(methylamino)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-[2-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]ethyl]-4-oxohexanoic acid?

(2R,6S)-6-acetamido-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]-10-(methylamino)-5-oxodecanoic acid;(2R)-3-[3-[2-[2-[2-[(5S)-5-acetamido-9-(methylamino)-4-oxononoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]propanoic acid;(2S)-N-[(5S)-5-acetamido-9-(methylamino)-4-oxononyl]-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanamide;(2R,5S)-5-[[(2S,5S)-5-acetamido-9-(methylamino)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-[2-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]ethyl]-4-oxohexanoic acid has a molecular weight of 3418.13 g/mol, XLogP of 17.95, 105 rotatable bonds, 23 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,6S)-6-acetamido-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]-10-(methylamino)-5-oxodecanoic acid;(2R)-3-[3-[2-[2-[2-[(5S)-5-acetamido-9-(methylamino)-4-oxononoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[[(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanoyl]amino]propanoic acid;(2S)-N-[(5S)-5-acetamido-9-(methylamino)-4-oxononyl]-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]butanamide;(2R,5S)-5-[[(2S,5S)-5-acetamido-9-(methylamino)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-[2-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]ethyl]-4-oxohexanoic acid is sourced from PubChem (CID 159942267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).