N-[2-[3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylcarbamoyl]-5-[2-[[3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzoyl]amino]ethoxy]phenoxy]ethyl]-3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzamide

C123H190N20O60 — CID 46223434

About N-[2-[3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylcarbamoyl]-5-[2-[[3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzoyl]amino]ethoxy]phenoxy]ethyl]-3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzamide

N-[2-[3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylcarbamoyl]-5-[2-[[3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzoyl]amino]ethoxy]phenoxy]ethyl]-3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzamide (PubChem CID 46223434) has the molecular formula C123H190N20O60 and a molecular weight of 2908.95 g/mol. Its IUPAC name is N-[2-[3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylcarbamoyl]-5-[2-[[3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzoyl]amino]ethoxy]phenoxy]ethyl]-3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzamide.

Molecular Properties

• Compound Name: N-[2-[3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylcarbamoyl]-5-[2-[[3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzoyl]amino]ethoxy]phenoxy]ethyl]-3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzamide
• PubChem CID: 46223434
• Molecular Formula: C123H190N20O60
• Molecular Weight: 2908.95 g/mol
• Exact Mass: 2907.24
• IUPAC Name: N-[2-[3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylcarbamoyl]-5-[2-[[3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzoyl]amino]ethoxy]phenoxy]ethyl]-3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzamide
• SMILES: NCCCOCCOCCOCCCNC(=O)c1cc(OCCNC(=O)c2cc(OCCNC(=O)CCc3cn(CCCO[C@@H]4O[C@H](CO)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn3)cc(OCCNC(=O)CCc3cn(CCCO[C@@H]4O[C@H](CO)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn3)c2)cc(OCCNC(=O)c2cc(OCCNC(=O)CCc3cn(CCCO[C@@H]4O[C@H](CO)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn3)cc(OCCNC(=O)CCc3cn(CCCO[C@@H]4O[C@H](CO)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn3)c2)c1
• InChI: InChI=1S/C123H190N20O60/c124-15-1-27-179-39-41-181-42-40-180-28-2-16-129-113(176)64-43-75(186-37-21-130-114(177)65-45-71(182-33-17-125-85(152)11-7-67-52-140(136-132-67)23-3-29-188-116-105(172)97(164)109(81(60-148)196-116)200-120-101(168)93(160)89(156)77(56-144)192-120)49-72(46-65)183-34-18-126-86(153)12-8-68-53-141(137-133-68)24-4-30-189-117-106(173)98(165)110(82(61-149)197-117)201-121-102(169)94(161)90(157)78(57-145)193-121)51-76(44-64)187-38-22-131-115(178)66-47-73(184-35-19-127-87(154)13-9-69-54-142(138-134-69)25-5-31-190-118-107(174)99(166)111(83(62-150)198-118)202-122-103(170)95(162)91(158)79(58-146)194-122)50-74(48-66)185-36-20-128-88(155)14-10-70-55-143(139-135-70)26-6-32-191-119-108(175)100(167)112(84(63-151)199-119)203-123-104(171)96(163)92(159)80(59-147)195-123/h43-55,77-84,89-112,116-123,144-151,156-175H,1-42,56-63,124H2,(H,125,152)(H,126,153)(H,127,154)(H,128,155)(H,129,176)(H,130,177)(H,131,178)/t77-,78-,79-,80-,81-,82-,83-,84-,89+,90+,91+,92+,93+,94+,95+,96+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109+,110+,111+,112+,116-,117-,118-,119-,120-,121-,122-,123-/m1/s1
• InChIKey: DYQJEJYETXVDCA-ZADXDWGVSA-N
• XLogP: -18.18
• TPSA: 1149.75 Ų
• H-Bond Donors: 36
• H-Bond Acceptors: 73
• Rotatable Bonds: 88
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2908.95
LogP ≤ 5	-18.18
H-Bond Donors ≤ 5	36
H-Bond Acceptors ≤ 10	73

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylcarbamoyl]-5-[2-[[3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzoyl]amino]ethoxy]phenoxy]ethyl]-3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzamide?

The IUPAC name of N-[2-[3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylcarbamoyl]-5-[2-[[3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzoyl]amino]ethoxy]phenoxy]ethyl]-3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzamide (CID 46223434) is N-[2-[3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylcarbamoyl]-5-[2-[[3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzoyl]amino]ethoxy]phenoxy]ethyl]-3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzamide.

What is the SMILES notation for N-[2-[3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylcarbamoyl]-5-[2-[[3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzoyl]amino]ethoxy]phenoxy]ethyl]-3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzamide?

The canonical SMILES for N-[2-[3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylcarbamoyl]-5-[2-[[3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzoyl]amino]ethoxy]phenoxy]ethyl]-3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzamide is NCCCOCCOCCOCCCNC(=O)c1cc(OCCNC(=O)c2cc(OCCNC(=O)CCc3cn(CCCO[C@@H]4O[C@H](CO)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn3)cc(OCCNC(=O)CCc3cn(CCCO[C@@H]4O[C@H](CO)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn3)c2)cc(OCCNC(=O)c2cc(OCCNC(=O)CCc3cn(CCCO[C@@H]4O[C@H](CO)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn3)cc(OCCNC(=O)CCc3cn(CCCO[C@@H]4O[C@H](CO)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn3)c2)c1.

What is the InChIKey of N-[2-[3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylcarbamoyl]-5-[2-[[3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzoyl]amino]ethoxy]phenoxy]ethyl]-3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzamide?

The InChIKey is DYQJEJYETXVDCA-ZADXDWGVSA-N. The full InChI is InChI=1S/C123H190N20O60/c124-15-1-27-179-39-41-181-42-40-180-28-2-16-129-113(176)64-43-75(186-37-21-130-114(177)65-45-71(182-33-17-125-85(152)11-7-67-52-140(136-132-67)23-3-29-188-116-105(172)97(164)109(81(60-148)196-116)200-120-101(168)93(160)89(156)77(56-144)192-120)49-72(46-65)183-34-18-126-86(153)12-8-68-53-141(137-133-68)24-4-30-189-117-106(173)98(165)110(82(61-149)197-117)201-121-102(169)94(161)90(157)78(57-145)193-121)51-76(44-64)187-38-22-131-115(178)66-47-73(184-35-19-127-87(154)13-9-69-54-142(138-134-69)25-5-31-190-118-107(174)99(166)111(83(62-150)198-118)202-122-103(170)95(162)91(158)79(58-146)194-122)50-74(48-66)185-36-20-128-88(155)14-10-70-55-143(139-135-70)26-6-32-191-119-108(175)100(167)112(84(63-151)199-119)203-123-104(171)96(163)92(159)80(59-147)195-123/h43-55,77-84,89-112,116-123,144-151,156-175H,1-42,56-63,124H2,(H,125,152)(H,126,153)(H,127,154)(H,128,155)(H,129,176)(H,130,177)(H,131,178)/t77-,78-,79-,80-,81-,82-,83-,84-,89+,90+,91+,92+,93+,94+,95+,96+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109+,110+,111+,112+,116-,117-,118-,119-,120-,121-,122-,123-/m1/s1.

What are the key properties of N-[2-[3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylcarbamoyl]-5-[2-[[3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzoyl]amino]ethoxy]phenoxy]ethyl]-3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzamide?

N-[2-[3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylcarbamoyl]-5-[2-[[3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzoyl]amino]ethoxy]phenoxy]ethyl]-3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzamide has a molecular weight of 2908.95 g/mol, XLogP of -18.18, 88 rotatable bonds, 36 hydrogen bond donors, and 73 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylcarbamoyl]-5-[2-[[3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzoyl]amino]ethoxy]phenoxy]ethyl]-3,5-bis[2-[3-[1-[3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]triazol-4-yl]propanoylamino]ethoxy]benzamide is sourced from PubChem (CID 46223434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).