(2S)-N-[(2S,3R)-1-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-1-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]propanamide

C158H222F6N26O24 — CID 159379053

About (2S)-N-[(2S,3R)-1-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-1-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]propanamide

(2S)-N-[(2S,3R)-1-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-1-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]propanamide (PubChem CID 159379053) has the molecular formula C158H222F6N26O24 and a molecular weight of 2983.66 g/mol. Its IUPAC name is (2S)-N-[(2S,3R)-1-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-1-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-N-[(2S,3R)-1-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-1-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]propanamide
• PubChem CID: 159379053
• Molecular Formula: C158H222F6N26O24
• Molecular Weight: 2983.66 g/mol
• Exact Mass: 2981.69
• IUPAC Name: (2S)-N-[(2S,3R)-1-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-1-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]propanamide
• SMILES: CNCC(=O)N(CCc1ccccc1)C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)[C@@H](C)OCC#CC#CCO[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1CN(CCc1ccccc1)C(=O)CNC.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CN(CCc1ccccc1)C(=O)C(F)F)[C@@H](C)OCC#CC#CCO[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1CN(CCc1ccccc1)C(=O)C(F)F.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CN(CCc1ccccc1)C(=O)CF)[C@@H](C)OCC#CC#CCO[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1CN(CCc1ccccc1)C(=O)CF
• InChI: InChI=1S/C54H80N10O8.C52H70F4N8O8.C52H72F2N8O8/c1-39(57-7)51(67)59-49(53(69)63-29-19-25-45(63)37-61(47(65)35-55-5)31-27-43-21-13-11-14-22-43)41(3)71-33-17-9-10-18-34-72-42(4)50(60-52(68)40(2)58-8)54(70)64-30-20-26-46(64)38-62(48(66)36-56-6)32-28-44-23-15-12-16-24-44;1-35(57-5)47(65)59-43(49(67)63-27-17-23-41(63)33-61(51(69)45(53)54)29-25-39-19-11-9-12-20-39)37(3)71-31-15-7-8-16-32-72-38(4)44(60-48(66)36(2)58-6)50(68)64-28-18-24-42(64)34-62(52(70)46(55)56)30-26-40-21-13-10-14-22-40;1-37(55-5)49(65)57-47(51(67)61-27-17-23-43(61)35-59(45(63)33-53)29-25-41-19-11-9-12-20-41)39(3)69-31-15-7-8-16-32-70-40(4)48(58-50(66)38(2)56-6)52(68)62-28-18-24-44(62)36-60(46(64)34-54)30-26-42-21-13-10-14-22-42/h11-16,21-24,39-42,45-46,49-50,55-58H,19-20,25-38H2,1-8H3,(H,59,67)(H,60,68);9-14,19-22,35-38,41-46,57-58H,17-18,23-34H2,1-6H3,(H,59,65)(H,60,66);9-14,19-22,37-40,43-44,47-48,55-56H,17-18,23-36H2,1-6H3,(H,57,65)(H,58,66)/t39-,40-,41+,42+,45-,46-,49-,50-;35-,36-,37+,38+,41-,42-,43-,44-;37-,38-,39+,40+,43-,44-,47-,48-/m000/s1
• InChIKey: LKRFBHDUAKRIRC-HXHUTSDVSA-N
• XLogP: 5.25
• TPSA: 569.94 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 32
• Rotatable Bonds: 80
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2983.66
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S,3R)-1-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-1-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]propanamide?

The IUPAC name of (2S)-N-[(2S,3R)-1-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-1-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]propanamide (CID 159379053) is (2S)-N-[(2S,3R)-1-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-1-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]propanamide.

What is the SMILES notation for (2S)-N-[(2S,3R)-1-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-1-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]propanamide?

The canonical SMILES for (2S)-N-[(2S,3R)-1-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-1-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]propanamide is CNCC(=O)N(CCc1ccccc1)C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)[C@@H](C)OCC#CC#CCO[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1CN(CCc1ccccc1)C(=O)CNC.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CN(CCc1ccccc1)C(=O)C(F)F)[C@@H](C)OCC#CC#CCO[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1CN(CCc1ccccc1)C(=O)C(F)F.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CN(CCc1ccccc1)C(=O)CF)[C@@H](C)OCC#CC#CCO[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1CN(CCc1ccccc1)C(=O)CF.

What is the InChIKey of (2S)-N-[(2S,3R)-1-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-1-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]propanamide?

The InChIKey is LKRFBHDUAKRIRC-HXHUTSDVSA-N. The full InChI is InChI=1S/C54H80N10O8.C52H70F4N8O8.C52H72F2N8O8/c1-39(57-7)51(67)59-49(53(69)63-29-19-25-45(63)37-61(47(65)35-55-5)31-27-43-21-13-11-14-22-43)41(3)71-33-17-9-10-18-34-72-42(4)50(60-52(68)40(2)58-8)54(70)64-30-20-26-46(64)38-62(48(66)36-56-6)32-28-44-23-15-12-16-24-44;1-35(57-5)47(65)59-43(49(67)63-27-17-23-41(63)33-61(51(69)45(53)54)29-25-39-19-11-9-12-20-39)37(3)71-31-15-7-8-16-32-72-38(4)44(60-48(66)36(2)58-6)50(68)64-28-18-24-42(64)34-62(52(70)46(55)56)30-26-40-21-13-10-14-22-40;1-37(55-5)49(65)57-47(51(67)61-27-17-23-43(61)35-59(45(63)33-53)29-25-41-19-11-9-12-20-41)39(3)69-31-15-7-8-16-32-70-40(4)48(58-50(66)38(2)56-6)52(68)62-28-18-24-44(62)36-60(46(64)34-54)30-26-42-21-13-10-14-22-42/h11-16,21-24,39-42,45-46,49-50,55-58H,19-20,25-38H2,1-8H3,(H,59,67)(H,60,68);9-14,19-22,35-38,41-46,57-58H,17-18,23-34H2,1-6H3,(H,59,65)(H,60,66);9-14,19-22,37-40,43-44,47-48,55-56H,17-18,23-36H2,1-6H3,(H,57,65)(H,58,66)/t39-,40-,41+,42+,45-,46-,49-,50-;35-,36-,37+,38+,41-,42-,43-,44-;37-,38-,39+,40+,43-,44-,47-,48-/m000/s1.

What are the key properties of (2S)-N-[(2S,3R)-1-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-1-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]propanamide?

(2S)-N-[(2S,3R)-1-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-1-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]propanamide has a molecular weight of 2983.66 g/mol, XLogP of 5.25, 80 rotatable bonds, 14 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(2S,3R)-1-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2,2-difluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[(2-fluoroacetyl)-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(2S,3R)-1-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-4-[(2S)-2-[[[2-(methylamino)acetyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]propanamide is sourced from PubChem (CID 159379053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).