(3S)-N-[5-(hydroxymethyl)-6-methoxyhexyl]-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]-3-[[2-[[2-[2-[2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-N'-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethyl]hexanediamide

C119H215N15O57 — CID 174153011

About (3S)-N-[5-(hydroxymethyl)-6-methoxyhexyl]-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]-3-[[2-[[2-[2-[2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-N'-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethyl]hexanediamide

(3S)-N-[5-(hydroxymethyl)-6-methoxyhexyl]-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]-3-[[2-[[2-[2-[2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-N'-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethyl]hexanediamide (PubChem CID 174153011) has the molecular formula C119H215N15O57 and a molecular weight of 2768.08 g/mol. Its IUPAC name is (3S)-N-[5-(hydroxymethyl)-6-methoxyhexyl]-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]-3-[[2-[[2-[2-[2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-N'-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethyl]hexanediamide.

Molecular Properties

• Compound Name: (3S)-N-[5-(hydroxymethyl)-6-methoxyhexyl]-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]-3-[[2-[[2-[2-[2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-N'-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethyl]hexanediamide
• PubChem CID: 174153011
• Molecular Formula: C119H215N15O57
• Molecular Weight: 2768.08 g/mol
• Exact Mass: 2766.44
• IUPAC Name: (3S)-N-[5-(hydroxymethyl)-6-methoxyhexyl]-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]-3-[[2-[[2-[2-[2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-N'-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethyl]hexanediamide
• SMILES: COCC(CO)CCCCNC(=O)C[C@H](CCC(=O)NCCOCCOCC(=O)NCCCCCO[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)NC(=O)C[C@H](CCC(=O)NCCOCCOCC(=O)NCCCCCO[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)NC(=O)C[C@H](CCC(=O)NCCOCCOCC(=O)NCCCCCO[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)NC(=O)C[C@H](CCC(=O)NCCOCCOCC(=O)NCCCCCO[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCO[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O
• InChI: InChI=1S/C119H215N15O57/c1-171-69-75(63-135)18-6-12-32-120-90(146)58-76(20-24-86(142)126-34-44-173-48-53-177-70-95(151)121-28-8-2-13-38-182-115-110(166)105(161)100(156)80(64-136)187-115)131-91(147)59-77(21-25-87(143)127-35-45-174-49-54-178-71-96(152)122-29-9-3-14-39-183-116-111(167)106(162)101(157)81(65-137)188-116)132-92(148)60-78(22-26-88(144)128-36-46-175-50-55-179-72-97(153)123-30-10-4-15-40-184-117-112(168)107(163)102(158)82(66-138)189-117)133-93(149)61-79(23-27-89(145)129-37-47-176-51-56-180-73-98(154)124-31-11-5-16-41-185-118-113(169)108(164)103(159)83(67-139)190-118)134-94(150)62-130-99(155)74-181-57-52-172-43-33-125-85(141)19-7-17-42-186-119-114(170)109(165)104(160)84(68-140)191-119/h75-84,100-119,135-140,156-170H,2-74H2,1H3,(H,120,146)(H,121,151)(H,122,152)(H,123,153)(H,124,154)(H,125,141)(H,126,142)(H,127,143)(H,128,144)(H,129,145)(H,130,155)(H,131,147)(H,132,148)(H,133,149)(H,134,150)/t75?,76-,77-,78-,79-,80?,81?,82?,83?,84?,100+,101+,102+,103+,104+,105-,106-,107-,108-,109-,110?,111?,112?,113?,114?,115+,116+,117+,118+,119+/m0/s1
• InChIKey: DXLDZZMYHZSEPA-DMEZWNAYSA-N
• XLogP: -15.59
• TPSA: 1055.16 Ų
• H-Bond Donors: 36
• H-Bond Acceptors: 57
• Rotatable Bonds: 113
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2768.08
LogP ≤ 5	-15.59
H-Bond Donors ≤ 5	36
H-Bond Acceptors ≤ 10	57

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[5-(hydroxymethyl)-6-methoxyhexyl]-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]-3-[[2-[[2-[2-[2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-N'-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethyl]hexanediamide?

The IUPAC name of (3S)-N-[5-(hydroxymethyl)-6-methoxyhexyl]-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]-3-[[2-[[2-[2-[2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-N'-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethyl]hexanediamide (CID 174153011) is (3S)-N-[5-(hydroxymethyl)-6-methoxyhexyl]-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]-3-[[2-[[2-[2-[2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-N'-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethyl]hexanediamide.

What is the SMILES notation for (3S)-N-[5-(hydroxymethyl)-6-methoxyhexyl]-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]-3-[[2-[[2-[2-[2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-N'-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethyl]hexanediamide?

The canonical SMILES for (3S)-N-[5-(hydroxymethyl)-6-methoxyhexyl]-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]-3-[[2-[[2-[2-[2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-N'-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethyl]hexanediamide is COCC(CO)CCCCNC(=O)C[C@H](CCC(=O)NCCOCCOCC(=O)NCCCCCO[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)NC(=O)C[C@H](CCC(=O)NCCOCCOCC(=O)NCCCCCO[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)NC(=O)C[C@H](CCC(=O)NCCOCCOCC(=O)NCCCCCO[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)NC(=O)C[C@H](CCC(=O)NCCOCCOCC(=O)NCCCCCO[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCO[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O.

What is the InChIKey of (3S)-N-[5-(hydroxymethyl)-6-methoxyhexyl]-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]-3-[[2-[[2-[2-[2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-N'-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethyl]hexanediamide?

The InChIKey is DXLDZZMYHZSEPA-DMEZWNAYSA-N. The full InChI is InChI=1S/C119H215N15O57/c1-171-69-75(63-135)18-6-12-32-120-90(146)58-76(20-24-86(142)126-34-44-173-48-53-177-70-95(151)121-28-8-2-13-38-182-115-110(166)105(161)100(156)80(64-136)187-115)131-91(147)59-77(21-25-87(143)127-35-45-174-49-54-178-71-96(152)122-29-9-3-14-39-183-116-111(167)106(162)101(157)81(65-137)188-116)132-92(148)60-78(22-26-88(144)128-36-46-175-50-55-179-72-97(153)123-30-10-4-15-40-184-117-112(168)107(163)102(158)82(66-138)189-117)133-93(149)61-79(23-27-89(145)129-37-47-176-51-56-180-73-98(154)124-31-11-5-16-41-185-118-113(169)108(164)103(159)83(67-139)190-118)134-94(150)62-130-99(155)74-181-57-52-172-43-33-125-85(141)19-7-17-42-186-119-114(170)109(165)104(160)84(68-140)191-119/h75-84,100-119,135-140,156-170H,2-74H2,1H3,(H,120,146)(H,121,151)(H,122,152)(H,123,153)(H,124,154)(H,125,141)(H,126,142)(H,127,143)(H,128,144)(H,129,145)(H,130,155)(H,131,147)(H,132,148)(H,133,149)(H,134,150)/t75?,76-,77-,78-,79-,80?,81?,82?,83?,84?,100+,101+,102+,103+,104+,105-,106-,107-,108-,109-,110?,111?,112?,113?,114?,115+,116+,117+,118+,119+/m0/s1.

What are the key properties of (3S)-N-[5-(hydroxymethyl)-6-methoxyhexyl]-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]-3-[[2-[[2-[2-[2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-N'-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethyl]hexanediamide?

(3S)-N-[5-(hydroxymethyl)-6-methoxyhexyl]-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]-3-[[2-[[2-[2-[2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-N'-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethyl]hexanediamide has a molecular weight of 2768.08 g/mol, XLogP of -15.59, 113 rotatable bonds, 36 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[5-(hydroxymethyl)-6-methoxyhexyl]-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-3-[[(3S)-6-oxo-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]-3-[[2-[[2-[2-[2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-6-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethylamino]hexanoyl]amino]-N'-[2-[2-[2-oxo-2-[5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]ethoxy]ethoxy]ethyl]hexanediamide is sourced from PubChem (CID 174153011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).