1-[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]-3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]urea;11-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-ethyl-8-oxoundecanamide

C65H118N6O37 — CID 167705209

About 1-[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]-3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]urea;11-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-ethyl-8-oxoundecanamide

1-[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]-3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]urea;11-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-ethyl-8-oxoundecanamide (PubChem CID 167705209) has the molecular formula C65H118N6O37 and a molecular weight of 1575.66 g/mol. Its IUPAC name is 1-[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]-3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]urea;11-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-ethyl-8-oxoundecanamide.

Molecular Properties

• Compound Name: 1-[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]-3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]urea;11-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-ethyl-8-oxoundecanamide
• PubChem CID: 167705209
• Molecular Formula: C65H118N6O37
• Molecular Weight: 1575.66 g/mol
• Exact Mass: 1574.75
• IUPAC Name: 1-[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]-3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]urea;11-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-ethyl-8-oxoundecanamide
• SMILES: CC(=O)[C@H](CCCCN)NNC(=O)CCCCCNC(=O)NCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O.CCNC(=O)CCCCCCC(=O)CCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
• InChI: InChI=1S/C34H63N5O19.C31H55NO18/c1-16(42)17(7-4-5-9-35)38-39-21(43)8-3-2-6-10-36-34(52)37-11-12-53-32-29(51)30(58-33-28(50)26(48)23(45)19(14-41)56-33)24(46)20(57-32)15-54-31-27(49)25(47)22(44)18(13-40)55-31;1-2-32-19(36)10-6-4-3-5-8-15(35)9-7-11-45-30-27(44)28(50-31-26(43)24(41)21(38)17(13-34)48-31)22(39)18(49-30)14-46-29-25(42)23(40)20(37)16(12-33)47-29/h17-20,22-33,38,40-41,44-51H,2-15,35H2,1H3,(H,39,43)(H2,36,37,52);16-18,20-31,33-34,37-44H,2-14H2,1H3,(H,32,36)/t17-,18+,19+,20+,22+,23+,24+,25-,26-,27-,28-,29-,30-,31-,32+,33+;16-,17-,18-,20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30-,31-/m01/s1
• InChIKey: YZSZVLWNCPOCQD-IJGJGUHLSA-N
• XLogP: -11.70
• TPSA: 686.88 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 39
• Rotatable Bonds: 44
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1575.66
LogP ≤ 5	-11.70
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]-3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]urea;11-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-ethyl-8-oxoundecanamide?

The IUPAC name of 1-[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]-3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]urea;11-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-ethyl-8-oxoundecanamide (CID 167705209) is 1-[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]-3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]urea;11-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-ethyl-8-oxoundecanamide.

What is the SMILES notation for 1-[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]-3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]urea;11-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-ethyl-8-oxoundecanamide?

The canonical SMILES for 1-[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]-3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]urea;11-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-ethyl-8-oxoundecanamide is CC(=O)[C@H](CCCCN)NNC(=O)CCCCCNC(=O)NCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O.CCNC(=O)CCCCCCC(=O)CCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O.

What is the InChIKey of 1-[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]-3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]urea;11-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-ethyl-8-oxoundecanamide?

The InChIKey is YZSZVLWNCPOCQD-IJGJGUHLSA-N. The full InChI is InChI=1S/C34H63N5O19.C31H55NO18/c1-16(42)17(7-4-5-9-35)38-39-21(43)8-3-2-6-10-36-34(52)37-11-12-53-32-29(51)30(58-33-28(50)26(48)23(45)19(14-41)56-33)24(46)20(57-32)15-54-31-27(49)25(47)22(44)18(13-40)55-31;1-2-32-19(36)10-6-4-3-5-8-15(35)9-7-11-45-30-27(44)28(50-31-26(43)24(41)21(38)17(13-34)48-31)22(39)18(49-30)14-46-29-25(42)23(40)20(37)16(12-33)47-29/h17-20,22-33,38,40-41,44-51H,2-15,35H2,1H3,(H,39,43)(H2,36,37,52);16-18,20-31,33-34,37-44H,2-14H2,1H3,(H,32,36)/t17-,18+,19+,20+,22+,23+,24+,25-,26-,27-,28-,29-,30-,31-,32+,33+;16-,17-,18-,20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30-,31-/m01/s1.

What are the key properties of 1-[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]-3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]urea;11-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-ethyl-8-oxoundecanamide?

1-[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]-3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]urea;11-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-ethyl-8-oxoundecanamide has a molecular weight of 1575.66 g/mol, XLogP of -11.70, 44 rotatable bonds, 26 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexyl]-3-[2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]urea;11-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-N-ethyl-8-oxoundecanamide is sourced from PubChem (CID 167705209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).