N'-[8-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-4-yl]-N-[8-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-2-yl]-2-[6-[(3R,4S)-3-ethyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-2,6-dioxohexyl]pentanediamide

C78H135N7O35 — CID 159423059

About N'-[8-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-4-yl]-N-[8-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-2-yl]-2-[6-[(3R,4S)-3-ethyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-2,6-dioxohexyl]pentanediamide

N'-[8-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-4-yl]-N-[8-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-2-yl]-2-[6-[(3R,4S)-3-ethyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-2,6-dioxohexyl]pentanediamide (PubChem CID 159423059) has the molecular formula C78H135N7O35 and a molecular weight of 1730.95 g/mol. Its IUPAC name is N'-[8-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-4-yl]-N-[8-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-2-yl]-2-[6-[(3R,4S)-3-ethyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-2,6-dioxohexyl]pentanediamide.

Molecular Properties

• Compound Name: N'-[8-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-4-yl]-N-[8-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-2-yl]-2-[6-[(3R,4S)-3-ethyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-2,6-dioxohexyl]pentanediamide
• PubChem CID: 159423059
• Molecular Formula: C78H135N7O35
• Molecular Weight: 1730.95 g/mol
• Exact Mass: 1729.90
• IUPAC Name: N'-[8-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-4-yl]-N-[8-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-2-yl]-2-[6-[(3R,4S)-3-ethyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-2,6-dioxohexyl]pentanediamide
• SMILES: CC[C@@]1(C)CN(C(=O)CCCC(=O)CC(CCC(=O)NC(CCC(=O)NCCOCCOC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)C(=O)CCCOCCOC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)C(=O)NC(CCC(=O)CCCOCCOC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2C)C(=O)NCCOCCOC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2C)C[C@@]1(C)CO
• InChI: InChI=1S/C78H135N7O35/c1-8-77(6)41-85(42-78(77,7)43-90)60(98)15-9-12-50(94)36-48(71(107)84-52(72(108)80-23-27-112-30-33-114-74-45(3)64(100)66(102)55(38-87)118-74)18-17-49(93)13-10-24-109-28-32-113-73-44(2)63(99)65(101)54(37-86)117-73)16-20-59(97)83-51(53(95)14-11-25-110-29-34-115-75-61(81-46(4)91)69(105)67(103)56(39-88)119-75)19-21-58(96)79-22-26-111-31-35-116-76-62(82-47(5)92)70(106)68(104)57(40-89)120-76/h44-45,48,51-52,54-57,61-70,73-76,86-90,99-106H,8-43H2,1-7H3,(H,79,96)(H,80,108)(H,81,91)(H,82,92)(H,83,97)(H,84,107)/t44-,45-,48?,51?,52?,54-,55-,56-,57-,61-,62-,63-,64-,65+,66+,67+,68+,69-,70-,73?,74?,75?,76?,77+,78+/m1/s1
• InChIKey: GLTNCSUBXGOAOW-SYPMTITBSA-N
• XLogP: -6.60
• TPSA: 619.87 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 35
• Rotatable Bonds: 58
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1730.95
LogP ≤ 5	-6.60
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[8-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-4-yl]-N-[8-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-2-yl]-2-[6-[(3R,4S)-3-ethyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-2,6-dioxohexyl]pentanediamide?

The IUPAC name of N'-[8-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-4-yl]-N-[8-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-2-yl]-2-[6-[(3R,4S)-3-ethyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-2,6-dioxohexyl]pentanediamide (CID 159423059) is N'-[8-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-4-yl]-N-[8-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-2-yl]-2-[6-[(3R,4S)-3-ethyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-2,6-dioxohexyl]pentanediamide.

What is the SMILES notation for N'-[8-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-4-yl]-N-[8-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-2-yl]-2-[6-[(3R,4S)-3-ethyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-2,6-dioxohexyl]pentanediamide?

The canonical SMILES for N'-[8-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-4-yl]-N-[8-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-2-yl]-2-[6-[(3R,4S)-3-ethyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-2,6-dioxohexyl]pentanediamide is CC[C@@]1(C)CN(C(=O)CCCC(=O)CC(CCC(=O)NC(CCC(=O)NCCOCCOC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)C(=O)CCCOCCOC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)C(=O)NC(CCC(=O)CCCOCCOC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2C)C(=O)NCCOCCOC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2C)C[C@@]1(C)CO.

What is the InChIKey of N'-[8-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-4-yl]-N-[8-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-2-yl]-2-[6-[(3R,4S)-3-ethyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-2,6-dioxohexyl]pentanediamide?

The InChIKey is GLTNCSUBXGOAOW-SYPMTITBSA-N. The full InChI is InChI=1S/C78H135N7O35/c1-8-77(6)41-85(42-78(77,7)43-90)60(98)15-9-12-50(94)36-48(71(107)84-52(72(108)80-23-27-112-30-33-114-74-45(3)64(100)66(102)55(38-87)118-74)18-17-49(93)13-10-24-109-28-32-113-73-44(2)63(99)65(101)54(37-86)117-73)16-20-59(97)83-51(53(95)14-11-25-110-29-34-115-75-61(81-46(4)91)69(105)67(103)56(39-88)119-75)19-21-58(96)79-22-26-111-31-35-116-76-62(82-47(5)92)70(106)68(104)57(40-89)120-76/h44-45,48,51-52,54-57,61-70,73-76,86-90,99-106H,8-43H2,1-7H3,(H,79,96)(H,80,108)(H,81,91)(H,82,92)(H,83,97)(H,84,107)/t44-,45-,48?,51?,52?,54-,55-,56-,57-,61-,62-,63-,64-,65+,66+,67+,68+,69-,70-,73?,74?,75?,76?,77+,78+/m1/s1.

What are the key properties of N'-[8-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-4-yl]-N-[8-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-2-yl]-2-[6-[(3R,4S)-3-ethyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-2,6-dioxohexyl]pentanediamide?

N'-[8-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-4-yl]-N-[8-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-2-yl]-2-[6-[(3R,4S)-3-ethyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-2,6-dioxohexyl]pentanediamide has a molecular weight of 1730.95 g/mol, XLogP of -6.60, 58 rotatable bonds, 19 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[8-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-4-yl]-N-[8-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]-1-[2-[2-[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethylamino]-1,5-dioxooctan-2-yl]-2-[6-[(3R,4S)-3-ethyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-2,6-dioxohexyl]pentanediamide is sourced from PubChem (CID 159423059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).