azane;N-[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanamide

C87H157N5O37 — CID 167570388

About azane;N-[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanamide

azane;N-[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanamide (PubChem CID 167570388) has the molecular formula C87H157N5O37 and a molecular weight of 1865.21 g/mol. Its IUPAC name is azane;N-[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanamide.

Molecular Properties

• Compound Name: azane;N-[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanamide
• PubChem CID: 167570388
• Molecular Formula: C87H157N5O37
• Molecular Weight: 1865.21 g/mol
• Exact Mass: 1864.06
• IUPAC Name: azane;N-[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanamide
• SMILES: CC(=O)[C@H](CC1CCCCC1)OC1C(NC(=O)CCC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NCC(=O)NC2C(O[C@@H](CC3CCCCC3)C(C)=O)[C@@H](O)[C@H](CO)O[C@H]2O[C@@H]2CCCC(C)[C@H]2O[C@@H]2OC(C)[C@@H](O)[C@H](O)C2O)[C@H](OC2CCCC(C)[C@H]2O[C@@H]2OC(C)[C@@H](O)[C@H](O)C2O)O[C@@H](CO)[C@@H]1O.N.N
• InChI: InChI=1S/C87H151N3O37.2H3N/c1-52-15-13-21-61(80(52)126-86-78(105)76(103)72(99)56(5)118-86)122-84-70(82(74(101)65(48-91)124-84)120-63(54(3)93)45-58-17-9-7-10-18-58)89-67(96)24-23-60(95)50-116-43-41-114-39-37-112-35-33-110-31-29-108-27-25-107-26-28-109-30-32-111-34-36-113-38-40-115-42-44-117-51-69(98)88-47-68(97)90-71-83(121-64(55(4)94)46-59-19-11-8-12-20-59)75(102)66(49-92)125-85(71)123-62-22-14-16-53(2)81(62)127-87-79(106)77(104)73(100)57(6)119-87;;/h52-53,56-59,61-66,70-87,91-92,99-106H,7-51H2,1-6H3,(H,88,98)(H,89,96)(H,90,97);2*1H3/t52?,53?,56?,57?,61?,62-,63+,64+,65+,66+,70?,71?,72-,73-,74+,75+,76+,77+,78?,79?,80-,81-,82?,83?,84-,85-,86+,87+;;/m1../s1
• InChIKey: ODEHCECRKBSVAB-QYTFRGKISA-N
• XLogP: -0.45
• TPSA: 604.64 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 39
• Rotatable Bonds: 61
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1865.21
LogP ≤ 5	-0.45
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azane;N-[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanamide?

The IUPAC name of azane;N-[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanamide (CID 167570388) is azane;N-[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanamide.

What is the SMILES notation for azane;N-[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanamide?

The canonical SMILES for azane;N-[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanamide is CC(=O)[C@H](CC1CCCCC1)OC1C(NC(=O)CCC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NCC(=O)NC2C(O[C@@H](CC3CCCCC3)C(C)=O)[C@@H](O)[C@H](CO)O[C@H]2O[C@@H]2CCCC(C)[C@H]2O[C@@H]2OC(C)[C@@H](O)[C@H](O)C2O)[C@H](OC2CCCC(C)[C@H]2O[C@@H]2OC(C)[C@@H](O)[C@H](O)C2O)O[C@@H](CO)[C@@H]1O.N.N.

What is the InChIKey of azane;N-[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanamide?

The InChIKey is ODEHCECRKBSVAB-QYTFRGKISA-N. The full InChI is InChI=1S/C87H151N3O37.2H3N/c1-52-15-13-21-61(80(52)126-86-78(105)76(103)72(99)56(5)118-86)122-84-70(82(74(101)65(48-91)124-84)120-63(54(3)93)45-58-17-9-7-10-18-58)89-67(96)24-23-60(95)50-116-43-41-114-39-37-112-35-33-110-31-29-108-27-25-107-26-28-109-30-32-111-34-36-113-38-40-115-42-44-117-51-69(98)88-47-68(97)90-71-83(121-64(55(4)94)46-59-19-11-8-12-20-59)75(102)66(49-92)125-85(71)123-62-22-14-16-53(2)81(62)127-87-79(106)77(104)73(100)57(6)119-87;;/h52-53,56-59,61-66,70-87,91-92,99-106H,7-51H2,1-6H3,(H,88,98)(H,89,96)(H,90,97);2*1H3/t52?,53?,56?,57?,61?,62-,63+,64+,65+,66+,70?,71?,72-,73-,74+,75+,76+,77+,78?,79?,80-,81-,82?,83?,84-,85-,86+,87+;;/m1../s1.

What are the key properties of azane;N-[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanamide?

azane;N-[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanamide has a molecular weight of 1865.21 g/mol, XLogP of -0.45, 61 rotatable bonds, 15 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for azane;N-[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2R)-3-methyl-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanamide is sourced from PubChem (CID 167570388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).