3-[[(2R)-2,4-diaminobutyl]disulfanyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

C32H64N6O11S2 — CID 118941004

IUPAC3-[[(2R)-2,4-diaminobutyl]disulfanyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCSSC[C@H](N)CCN)nn1
InChIInChI=1S/C32H64N6O11S2/c1-30-28-38(37-36-30)6-8-41-10-12-43-14-16-45-18-20-47-22-24-49-26-25-48-23-21-46-19-17-44-15-13-42-11-9-40-7-5-35-32(39)3-27-50-51-29-31(34)2-4-33/h28,31H,2-27,29,33-34H2,1H3,(H,35,39)/t31-/m1/s1
InChIKeyXAUUSXPWFGKTGI-WJOKGBTCSA-N
MW773.03 g/mol
LogP0.32
Rot. Bonds41

About 3-[[(2R)-2,4-diaminobutyl]disulfanyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

3-[[(2R)-2,4-diaminobutyl]disulfanyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 118941004) has the molecular formula C32H64N6O11S2 and a molecular weight of 773.03 g/mol. Its IUPAC name is 3-[[(2R)-2,4-diaminobutyl]disulfanyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-[[(2R)-2,4-diaminobutyl]disulfanyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
PubChem CID118941004
Molecular FormulaC32H64N6O11S2
Molecular Weight773.03 g/mol
Exact Mass772.41
IUPAC Name3-[[(2R)-2,4-diaminobutyl]disulfanyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCSSC[C@H](N)CCN)nn1
InChIInChI=1S/C32H64N6O11S2/c1-30-28-38(37-36-30)6-8-41-10-12-43-14-16-45-18-20-47-22-24-49-26-25-48-23-21-46-19-17-44-15-13-42-11-9-40-7-5-35-32(39)3-27-50-51-29-31(34)2-4-33/h28,31H,2-27,29,33-34H2,1H3,(H,35,39)/t31-/m1/s1
InChIKeyXAUUSXPWFGKTGI-WJOKGBTCSA-N
XLogP0.32
TPSA204.15 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds41
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.03
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 176965815
N-methyl-2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155582503
ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methyltriazole
CID 156729649
N-[2-[2-[2-[2-[2-[1-(2-propoxyethyl)triazol-4-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 176686546
3-methyl-N-[2-[2-[2-[2-[2-[4-(5-methylhexyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 169018887
ethane;6-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]hexan-1-ol
CID 177359615
(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 171587033
ethane;4-methyl-1-[2-[2-(2-sulfanyloxyethoxy)ethoxy]ethyl]triazole
CID 144977266
N-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethyl]acetamide
CID 156664422
methyl-[5-[2-(4-methyltriazol-1-yl)ethoxy]-2-oxopentyl]phosphinic acid
CID 161061411
ethane;4-methyl-1-(2-propoxyethyl)triazole
CID 156729462
4-amino-N-[2-[[1-[2-[2-[2-[2-[(3,4-dihydroxyoxan-2-yl)methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]butanamide
CID 144963347

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2,4-diaminobutyl]disulfanyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 3-[[(2R)-2,4-diaminobutyl]disulfanyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 118941004) is 3-[[(2R)-2,4-diaminobutyl]disulfanyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-[[(2R)-2,4-diaminobutyl]disulfanyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 3-[[(2R)-2,4-diaminobutyl]disulfanyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is Cc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCSSC[C@H](N)CCN)nn1.
What is the InChIKey of 3-[[(2R)-2,4-diaminobutyl]disulfanyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is XAUUSXPWFGKTGI-WJOKGBTCSA-N. The full InChI is InChI=1S/C32H64N6O11S2/c1-30-28-38(37-36-30)6-8-41-10-12-43-14-16-45-18-20-47-22-24-49-26-25-48-23-21-46-19-17-44-15-13-42-11-9-40-7-5-35-32(39)3-27-50-51-29-31(34)2-4-33/h28,31H,2-27,29,33-34H2,1H3,(H,35,39)/t31-/m1/s1.
What are the key properties of 3-[[(2R)-2,4-diaminobutyl]disulfanyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
3-[[(2R)-2,4-diaminobutyl]disulfanyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 773.03 g/mol, XLogP of 0.32, 41 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2,4-diaminobutyl]disulfanyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 118941004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).