(2S)-2-amino-10-[2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(7S)-7-carboxy-7-(hexadecanoylamino)-4-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxodecanoic acid

C82H158N2O31 — CID 159102576

IUPAC(2S)-2-amino-10-[2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(7S)-7-carboxy-7-(hexadecanoylamino)-4-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxodecanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)CCCCC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C82H158N2O31/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-80(87)84-79(82(90)91)26-25-76(85)22-20-30-94-34-38-98-42-46-102-50-54-106-58-61-109-63-65-111-67-69-113-71-73-115-75-74-114-72-70-112-68-66-110-64-62-108-60-57-105-53-49-101-45-41-97-37-33-93-29-19-18-28-92-32-36-96-40-44-100-48-52-104-56-59-107-55-51-103-47-43-99-39-35-95-31-27-77(86)21-15-14-16-23-78(83)81(88)89/h78-79H,2-75,83H2,1H3,(H,84,87)(H,88,89)(H,90,91)/t78-,79-/m0/s1
InChIKeyKDLWKTWPCCLLMI-HFYKEEGXSA-N
MW1668.15 g/mol
LogP7.67
Rot. Bonds104

About (2S)-2-amino-10-[2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(7S)-7-carboxy-7-(hexadecanoylamino)-4-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxodecanoic acid

(2S)-2-amino-10-[2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(7S)-7-carboxy-7-(hexadecanoylamino)-4-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxodecanoic acid (PubChem CID 159102576) has the molecular formula C82H158N2O31 and a molecular weight of 1668.15 g/mol. Its IUPAC name is (2S)-2-amino-10-[2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(7S)-7-carboxy-7-(hexadecanoylamino)-4-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxodecanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-10-[2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(7S)-7-carboxy-7-(hexadecanoylamino)-4-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxodecanoic acid
PubChem CID159102576
Molecular FormulaC82H158N2O31
Molecular Weight1668.15 g/mol
Exact Mass1667.08
IUPAC Name(2S)-2-amino-10-[2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(7S)-7-carboxy-7-(hexadecanoylamino)-4-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxodecanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)CCCCC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C82H158N2O31/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-80(87)84-79(82(90)91)26-25-76(85)22-20-30-94-34-38-98-42-46-102-50-54-106-58-61-109-63-65-111-67-69-113-71-73-115-75-74-114-72-70-112-68-66-110-64-62-108-60-57-105-53-49-101-45-41-97-37-33-93-29-19-18-28-92-32-36-96-40-44-100-48-52-104-56-59-107-55-51-103-47-43-99-39-35-95-31-27-77(86)21-15-14-16-23-78(83)81(88)89/h78-79H,2-75,83H2,1H3,(H,84,87)(H,88,89)(H,90,91)/t78-,79-/m0/s1
InChIKeyKDLWKTWPCCLLMI-HFYKEEGXSA-N
XLogP7.67
TPSA385.38 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds104
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001668.15
LogP ≤ 57.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-10-[2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(7S)-7-carboxy-7-(hexadecanoylamino)-4-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxodecanoic acid with MolForge

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Related Compounds

18-[[(1S)-1-carboxy-4-oxo-7-propoxyheptyl]amino]-18-oxooctadecanoic acid
CID 157375427
5-amino-2-(dodecanoylamino)-5-oxopentanoic acid;2,6-diaminohexanoic acid
CID 174862072
bis(5-amino-2-(octadecanoylamino)-5-oxopentanoic acid);2,6-diaminohexanoic acid
CID 175572052
(2S)-2-amino-8,11-dioxo-11-[3-[2-(2-propoxyethoxy)ethoxy]propylamino]undecanoic acid;N-ethylhexadecanamide;sulfane
CID 159424586
18-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-7-ethoxy-4-oxoheptyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 158135994
17-[[(1S)-1-carboxy-7-[2-(carboxymethoxy)ethoxy]-4-oxoheptyl]amino]-17-oxoheptadecanoic acid
CID 147483841
18-[[(1S)-1-carboxy-7-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]-4-oxoheptyl]amino]-18-oxooctadecanoic acid
CID 158708171
(2S)-2-amino-3-hydroxypropanamide;2-(hexadecanoylamino)-8-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]-5-oxooctanoic acid;N-[(5S)-5-methyl-6-oxoheptyl]-2-(2-propoxyethoxy)acetamide
CID 157348574
(2S)-5-hexadecoxy-5-oxo-2-(tridecanoylamino)pentanoic acid
CID 174701519
(2S)-5-oxo-2-(tetradecanoylamino)-5-tetradecoxypentanoic acid
CID 174701510
(2S)-2-(dodecanoylamino)-5-hexadecoxy-5-oxopentanoic acid
CID 174688608
(2S)-8-[2-[2-[2-[2-[5-[2-[2-[2-[2-[2-[[(5S)-5-ethyl-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-(octadecanoylamino)-5-oxooctanoic acid
CID 163991673

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-10-[2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(7S)-7-carboxy-7-(hexadecanoylamino)-4-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxodecanoic acid?
The IUPAC name of (2S)-2-amino-10-[2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(7S)-7-carboxy-7-(hexadecanoylamino)-4-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxodecanoic acid (CID 159102576) is (2S)-2-amino-10-[2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(7S)-7-carboxy-7-(hexadecanoylamino)-4-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxodecanoic acid.
What is the SMILES notation for (2S)-2-amino-10-[2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(7S)-7-carboxy-7-(hexadecanoylamino)-4-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxodecanoic acid?
The canonical SMILES for (2S)-2-amino-10-[2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(7S)-7-carboxy-7-(hexadecanoylamino)-4-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxodecanoic acid is CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)CCCCC[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-10-[2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(7S)-7-carboxy-7-(hexadecanoylamino)-4-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxodecanoic acid?
The InChIKey is KDLWKTWPCCLLMI-HFYKEEGXSA-N. The full InChI is InChI=1S/C82H158N2O31/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-80(87)84-79(82(90)91)26-25-76(85)22-20-30-94-34-38-98-42-46-102-50-54-106-58-61-109-63-65-111-67-69-113-71-73-115-75-74-114-72-70-112-68-66-110-64-62-108-60-57-105-53-49-101-45-41-97-37-33-93-29-19-18-28-92-32-36-96-40-44-100-48-52-104-56-59-107-55-51-103-47-43-99-39-35-95-31-27-77(86)21-15-14-16-23-78(83)81(88)89/h78-79H,2-75,83H2,1H3,(H,84,87)(H,88,89)(H,90,91)/t78-,79-/m0/s1.
What are the key properties of (2S)-2-amino-10-[2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(7S)-7-carboxy-7-(hexadecanoylamino)-4-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxodecanoic acid?
(2S)-2-amino-10-[2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(7S)-7-carboxy-7-(hexadecanoylamino)-4-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxodecanoic acid has a molecular weight of 1668.15 g/mol, XLogP of 7.67, 104 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-10-[2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(7S)-7-carboxy-7-(hexadecanoylamino)-4-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxodecanoic acid is sourced from PubChem (CID 159102576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).