2-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-N-[6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-1-[[1-cyclopentyl-2-(cyclopentylamino)-2-oxoethyl]amino]-1-oxohexan-2-yl]-6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide

C70H125N9O32 — CID 166956603

About 2-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-N-[6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-1-[[1-cyclopentyl-2-(cyclopentylamino)-2-oxoethyl]amino]-1-oxohexan-2-yl]-6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide

2-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-N-[6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-1-[[1-cyclopentyl-2-(cyclopentylamino)-2-oxoethyl]amino]-1-oxohexan-2-yl]-6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide (PubChem CID 166956603) has the molecular formula C70H125N9O32 and a molecular weight of 1604.80 g/mol. Its IUPAC name is 2-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-N-[6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-1-[[1-cyclopentyl-2-(cyclopentylamino)-2-oxoethyl]amino]-1-oxohexan-2-yl]-6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide.

Molecular Properties

• Compound Name: 2-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-N-[6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-1-[[1-cyclopentyl-2-(cyclopentylamino)-2-oxoethyl]amino]-1-oxohexan-2-yl]-6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide
• PubChem CID: 166956603
• Molecular Formula: C70H125N9O32
• Molecular Weight: 1604.80 g/mol
• Exact Mass: 1603.84
• IUPAC Name: 2-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-N-[6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-1-[[1-cyclopentyl-2-(cyclopentylamino)-2-oxoethyl]amino]-1-oxohexan-2-yl]-6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide
• SMILES: CC(=O)N[C@H]1[C@H](OCCOCCOCCOCC(=O)NCCCCC(NC(=O)C(CCCCNC(=O)COCCOCCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2N)NC(=O)COCCOCCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)C(=O)NC(C(=O)NC2CCCC2)C2CCCC2)O[C@H](CO)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C70H125N9O32/c1-43(83)74-57-63(92)60(89)50(38-81)110-69(57)107-35-32-101-23-20-98-26-29-104-41-53(86)73-18-10-8-16-48(66(95)79-56(45-11-3-4-12-45)67(96)76-46-13-5-6-14-46)78-65(94)47(77-54(87)42-105-30-27-99-21-24-102-33-36-108-70-58(75-44(2)84)64(93)61(90)51(39-82)111-70)15-7-9-17-72-52(85)40-103-28-25-97-19-22-100-31-34-106-68-55(71)62(91)59(88)49(37-80)109-68/h45-51,55-64,68-70,80-82,88-93H,3-42,71H2,1-2H3,(H,72,85)(H,73,86)(H,74,83)(H,75,84)(H,76,96)(H,77,87)(H,78,94)(H,79,95)/t47?,48?,49-,50-,51-,55-,56?,57-,58-,59+,60+,61+,62-,63-,64-,68-,69-,70-/m1/s1
• InChIKey: NRYVFVGFJPYCJA-XLVQCMTOSA-N
• XLogP: -7.88
• TPSA: 579.34 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 33
• Rotatable Bonds: 59
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1604.80
LogP ≤ 5	-7.88
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-N-[6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-1-[[1-cyclopentyl-2-(cyclopentylamino)-2-oxoethyl]amino]-1-oxohexan-2-yl]-6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide?

The IUPAC name of 2-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-N-[6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-1-[[1-cyclopentyl-2-(cyclopentylamino)-2-oxoethyl]amino]-1-oxohexan-2-yl]-6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide (CID 166956603) is 2-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-N-[6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-1-[[1-cyclopentyl-2-(cyclopentylamino)-2-oxoethyl]amino]-1-oxohexan-2-yl]-6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide.

What is the SMILES notation for 2-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-N-[6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-1-[[1-cyclopentyl-2-(cyclopentylamino)-2-oxoethyl]amino]-1-oxohexan-2-yl]-6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide?

The canonical SMILES for 2-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-N-[6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-1-[[1-cyclopentyl-2-(cyclopentylamino)-2-oxoethyl]amino]-1-oxohexan-2-yl]-6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide is CC(=O)N[C@H]1[C@H](OCCOCCOCCOCC(=O)NCCCCC(NC(=O)C(CCCCNC(=O)COCCOCCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2N)NC(=O)COCCOCCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)C(=O)NC(C(=O)NC2CCCC2)C2CCCC2)O[C@H](CO)[C@H](O)[C@@H]1O.

What is the InChIKey of 2-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-N-[6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-1-[[1-cyclopentyl-2-(cyclopentylamino)-2-oxoethyl]amino]-1-oxohexan-2-yl]-6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide?

The InChIKey is NRYVFVGFJPYCJA-XLVQCMTOSA-N. The full InChI is InChI=1S/C70H125N9O32/c1-43(83)74-57-63(92)60(89)50(38-81)110-69(57)107-35-32-101-23-20-98-26-29-104-41-53(86)73-18-10-8-16-48(66(95)79-56(45-11-3-4-12-45)67(96)76-46-13-5-6-14-46)78-65(94)47(77-54(87)42-105-30-27-99-21-24-102-33-36-108-70-58(75-44(2)84)64(93)61(90)51(39-82)111-70)15-7-9-17-72-52(85)40-103-28-25-97-19-22-100-31-34-106-68-55(71)62(91)59(88)49(37-80)109-68/h45-51,55-64,68-70,80-82,88-93H,3-42,71H2,1-2H3,(H,72,85)(H,73,86)(H,74,83)(H,75,84)(H,76,96)(H,77,87)(H,78,94)(H,79,95)/t47?,48?,49-,50-,51-,55-,56?,57-,58-,59+,60+,61+,62-,63-,64-,68-,69-,70-/m1/s1.

What are the key properties of 2-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-N-[6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-1-[[1-cyclopentyl-2-(cyclopentylamino)-2-oxoethyl]amino]-1-oxohexan-2-yl]-6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide?

2-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-N-[6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-1-[[1-cyclopentyl-2-(cyclopentylamino)-2-oxoethyl]amino]-1-oxohexan-2-yl]-6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide has a molecular weight of 1604.80 g/mol, XLogP of -7.88, 59 rotatable bonds, 18 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-N-[6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-1-[[1-cyclopentyl-2-(cyclopentylamino)-2-oxoethyl]amino]-1-oxohexan-2-yl]-6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide is sourced from PubChem (CID 166956603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).