5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[3-[2,2-bis[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-15-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-4,15-dioxopentadecoxy]propanoylamino]propyl]pentanamide;N-[1,3-bis[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]-10-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-10-oxodecanamide

C165H295N21O60 — CID 165002117

About 5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[3-[2,2-bis[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-15-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-4,15-dioxopentadecoxy]propanoylamino]propyl]pentanamide;N-[1,3-bis[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]-10-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-10-oxodecanamide

5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[3-[2,2-bis[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-15-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-4,15-dioxopentadecoxy]propanoylamino]propyl]pentanamide;N-[1,3-bis[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]-10-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-10-oxodecanamide (PubChem CID 165002117) has the molecular formula C165H295N21O60 and a molecular weight of 3533.26 g/mol. Its IUPAC name is 5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[3-[2,2-bis[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-15-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-4,15-dioxopentadecoxy]propanoylamino]propyl]pentanamide;N-[1,3-bis[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]-10-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-10-oxodecanamide.

Molecular Properties

• Compound Name: 5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[3-[2,2-bis[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-15-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-4,15-dioxopentadecoxy]propanoylamino]propyl]pentanamide;N-[1,3-bis[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]-10-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-10-oxodecanamide
• PubChem CID: 165002117
• Molecular Formula: C165H295N21O60
• Molecular Weight: 3533.26 g/mol
• Exact Mass: 3531.07
• IUPAC Name: 5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[3-[2,2-bis[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-15-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-4,15-dioxopentadecoxy]propanoylamino]propyl]pentanamide;N-[1,3-bis[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]-10-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-10-oxodecanamide
• SMILES: CC(=O)NC1C(OCCCCC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCOC2OC(CO)C(O)C(O)C2NC(C)=O)(COCCC(=O)NCCCNC(=O)CCCCOC2OC(CO)C(O)C(O)C2NC(C)=O)CC(=O)CCCCCCCCCCC(=O)N2C[C@H](O)C[C@H]2CCC(C)(C)C)OC(CO)C(O)C1O.CC(=O)NC1C(OCCCCC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCOC2OC(CO)C(O)C(O)C2NC(C)=O)(COCCC(=O)NCCCNC(=O)CCCCOC2OC(CO)C(O)C(O)C2NC(C)=O)NC(=O)CCCCCCCCC(=O)N2C[C@H](O)C[C@H]2CCC(C)(C)C)OC(CO)C(O)C1O
• InChI: InChI=1S/C84H150N10O30.C81H145N11O30/c1-55(98)91-71-77(113)74(110)61(49-95)122-80(71)119-40-18-15-25-64(103)85-34-21-37-88-67(106)30-43-116-52-84(47-59(101)24-13-11-9-7-8-10-12-14-28-70(109)94-48-60(102)46-58(94)29-33-83(4,5)6,53-117-44-31-68(107)89-38-22-35-86-65(104)26-16-19-41-120-81-72(92-56(2)99)78(114)75(111)62(50-96)123-81)54-118-45-32-69(108)90-39-23-36-87-66(105)27-17-20-42-121-82-73(93-57(3)100)79(115)76(112)63(51-97)124-82;1-52(96)88-68-74(111)71(108)57(46-93)120-77(68)117-38-16-13-22-60(100)82-32-19-35-85-63(103)28-41-114-49-81(91-66(106)25-11-9-7-8-10-12-26-67(107)92-45-56(99)44-55(92)27-31-80(4,5)6,50-115-42-29-64(104)86-36-20-33-83-61(101)23-14-17-39-118-78-69(89-53(2)97)75(112)72(109)58(47-94)121-78)51-116-43-30-65(105)87-37-21-34-84-62(102)24-15-18-40-119-79-70(90-54(3)98)76(113)73(110)59(48-95)122-79/h58,60-63,71-82,95-97,102,110-115H,7-54H2,1-6H3,(H,85,103)(H,86,104)(H,87,105)(H,88,106)(H,89,107)(H,90,108)(H,91,98)(H,92,99)(H,93,100);55-59,68-79,93-95,99,108-113H,7-51H2,1-6H3,(H,82,100)(H,83,101)(H,84,102)(H,85,103)(H,86,104)(H,87,105)(H,88,96)(H,89,97)(H,90,98)(H,91,106)/t58-,60-,61?,62?,63?,71?,72?,73?,74?,75?,76?,77?,78?,79?,80?,81?,82?,84?;55-,56-,57?,58?,59?,68?,69?,70?,71?,72?,73?,74?,75?,76?,77?,78?,79?,81?/m11/s1
• InChIKey: IKFSJTCLDNGKTN-YEOVYHMVSA-N
• XLogP: -5.67
• TPSA: 1181.33 Ų
• H-Bond Donors: 39
• H-Bond Acceptors: 60
• Rotatable Bonds: 129
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3533.26
LogP ≤ 5	-5.67
H-Bond Donors ≤ 5	39
H-Bond Acceptors ≤ 10	60

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[3-[2,2-bis[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-15-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-4,15-dioxopentadecoxy]propanoylamino]propyl]pentanamide;N-[1,3-bis[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]-10-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-10-oxodecanamide?

The IUPAC name of 5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[3-[2,2-bis[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-15-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-4,15-dioxopentadecoxy]propanoylamino]propyl]pentanamide;N-[1,3-bis[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]-10-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-10-oxodecanamide (CID 165002117) is 5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[3-[2,2-bis[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-15-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-4,15-dioxopentadecoxy]propanoylamino]propyl]pentanamide;N-[1,3-bis[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]-10-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-10-oxodecanamide.

What is the SMILES notation for 5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[3-[2,2-bis[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-15-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-4,15-dioxopentadecoxy]propanoylamino]propyl]pentanamide;N-[1,3-bis[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]-10-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-10-oxodecanamide?

The canonical SMILES for 5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[3-[2,2-bis[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-15-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-4,15-dioxopentadecoxy]propanoylamino]propyl]pentanamide;N-[1,3-bis[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]-10-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-10-oxodecanamide is CC(=O)NC1C(OCCCCC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCOC2OC(CO)C(O)C(O)C2NC(C)=O)(COCCC(=O)NCCCNC(=O)CCCCOC2OC(CO)C(O)C(O)C2NC(C)=O)CC(=O)CCCCCCCCCCC(=O)N2C[C@H](O)C[C@H]2CCC(C)(C)C)OC(CO)C(O)C1O.CC(=O)NC1C(OCCCCC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCOC2OC(CO)C(O)C(O)C2NC(C)=O)(COCCC(=O)NCCCNC(=O)CCCCOC2OC(CO)C(O)C(O)C2NC(C)=O)NC(=O)CCCCCCCCC(=O)N2C[C@H](O)C[C@H]2CCC(C)(C)C)OC(CO)C(O)C1O.

What is the InChIKey of 5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[3-[2,2-bis[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-15-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-4,15-dioxopentadecoxy]propanoylamino]propyl]pentanamide;N-[1,3-bis[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]-10-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-10-oxodecanamide?

The InChIKey is IKFSJTCLDNGKTN-YEOVYHMVSA-N. The full InChI is InChI=1S/C84H150N10O30.C81H145N11O30/c1-55(98)91-71-77(113)74(110)61(49-95)122-80(71)119-40-18-15-25-64(103)85-34-21-37-88-67(106)30-43-116-52-84(47-59(101)24-13-11-9-7-8-10-12-14-28-70(109)94-48-60(102)46-58(94)29-33-83(4,5)6,53-117-44-31-68(107)89-38-22-35-86-65(104)26-16-19-41-120-81-72(92-56(2)99)78(114)75(111)62(50-96)123-81)54-118-45-32-69(108)90-39-23-36-87-66(105)27-17-20-42-121-82-73(93-57(3)100)79(115)76(112)63(51-97)124-82;1-52(96)88-68-74(111)71(108)57(46-93)120-77(68)117-38-16-13-22-60(100)82-32-19-35-85-63(103)28-41-114-49-81(91-66(106)25-11-9-7-8-10-12-26-67(107)92-45-56(99)44-55(92)27-31-80(4,5)6,50-115-42-29-64(104)86-36-20-33-83-61(101)23-14-17-39-118-78-69(89-53(2)97)75(112)72(109)58(47-94)121-78)51-116-43-30-65(105)87-37-21-34-84-62(102)24-15-18-40-119-79-70(90-54(3)98)76(113)73(110)59(48-95)122-79/h58,60-63,71-82,95-97,102,110-115H,7-54H2,1-6H3,(H,85,103)(H,86,104)(H,87,105)(H,88,106)(H,89,107)(H,90,108)(H,91,98)(H,92,99)(H,93,100);55-59,68-79,93-95,99,108-113H,7-51H2,1-6H3,(H,82,100)(H,83,101)(H,84,102)(H,85,103)(H,86,104)(H,87,105)(H,88,96)(H,89,97)(H,90,98)(H,91,106)/t58-,60-,61?,62?,63?,71?,72?,73?,74?,75?,76?,77?,78?,79?,80?,81?,82?,84?;55-,56-,57?,58?,59?,68?,69?,70?,71?,72?,73?,74?,75?,76?,77?,78?,79?,81?/m11/s1.

What are the key properties of 5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[3-[2,2-bis[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-15-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-4,15-dioxopentadecoxy]propanoylamino]propyl]pentanamide;N-[1,3-bis[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]-10-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-10-oxodecanamide?

5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[3-[2,2-bis[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-15-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-4,15-dioxopentadecoxy]propanoylamino]propyl]pentanamide;N-[1,3-bis[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]-10-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-10-oxodecanamide has a molecular weight of 3533.26 g/mol, XLogP of -5.67, 129 rotatable bonds, 39 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[3-[2,2-bis[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-15-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-4,15-dioxopentadecoxy]propanoylamino]propyl]pentanamide;N-[1,3-bis[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]-10-[(2R,4R)-2-(3,3-dimethylbutyl)-4-hydroxypyrrolidin-1-yl]-10-oxodecanamide is sourced from PubChem (CID 165002117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).