2-amino-N-[1-[2-(disulfanyl)ethylamino]-1-oxopropan-2-yl]-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide

C36H72N4O15S2 — CID 146255556

IUPAC2-amino-N-[1-[2-(disulfanyl)ethylamino]-1-oxopropan-2-yl]-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NCCCCC(N)C(=O)NC(C)C(=O)NCCSS
InChIInChI=1S/C36H72N4O15S2/c1-32(35(42)39-7-30-57-56)40-36(43)33(37)5-3-4-6-38-34(41)31-55-29-28-54-27-26-53-25-24-52-23-22-51-21-20-50-19-18-49-17-16-48-15-14-47-13-12-46-11-10-45-9-8-44-2/h32-33,56H,3-31,37H2,1-2H3,(H,38,41)(H,39,42)(H,40,43)
InChIKeyRTSDSCFZYFIOEA-UHFFFAOYSA-N
MW865.12 g/mol
LogP-0.37
Rot. Bonds46

About 2-amino-N-[1-[2-(disulfanyl)ethylamino]-1-oxopropan-2-yl]-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide

2-amino-N-[1-[2-(disulfanyl)ethylamino]-1-oxopropan-2-yl]-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide (PubChem CID 146255556) has the molecular formula C36H72N4O15S2 and a molecular weight of 865.12 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(disulfanyl)ethylamino]-1-oxopropan-2-yl]-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide.

Molecular Properties

Compound Name2-amino-N-[1-[2-(disulfanyl)ethylamino]-1-oxopropan-2-yl]-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide
PubChem CID146255556
Molecular FormulaC36H72N4O15S2
Molecular Weight865.12 g/mol
Exact Mass864.44
IUPAC Name2-amino-N-[1-[2-(disulfanyl)ethylamino]-1-oxopropan-2-yl]-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NCCCCC(N)C(=O)NC(C)C(=O)NCCSS
InChIInChI=1S/C36H72N4O15S2/c1-32(35(42)39-7-30-57-56)40-36(43)33(37)5-3-4-6-38-34(41)31-55-29-28-54-27-26-53-25-24-52-23-22-51-21-20-50-19-18-49-17-16-48-15-14-47-13-12-46-11-10-45-9-8-44-2/h32-33,56H,3-31,37H2,1-2H3,(H,38,41)(H,39,42)(H,40,43)
InChIKeyRTSDSCFZYFIOEA-UHFFFAOYSA-N
XLogP-0.37
TPSA224.08 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds46
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.12
LogP ≤ 5-0.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-amino-N-[1-[2-(disulfanyl)ethylamino]-1-oxopropan-2-yl]-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide with MolForge

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Related Compounds

N-[(5S)-5-aminohexyl]-2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 172551422
N-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxo-6-phosphanylhexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
CID 144843670
2-[2-(2-methoxyethoxy)ethoxy]-N-[6-[6-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]hexyldisulfanyl]hexyl]acetamide
CID 15499688
2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
CID 113407134
(2S)-6-[[2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-2-aminohexanoic acid
CID 134198402
2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide
CID 115753308
2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 103601588
(2S)-2-[[(2S)-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoic acid
CID 122701703
(2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 141222319
(2R)-2-[[(2R)-2-[[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]propanoyl]amino]propanamide
CID 118895063
2-(2-aminoethoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79473525
2-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 103606873

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-(disulfanyl)ethylamino]-1-oxopropan-2-yl]-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide?
The IUPAC name of 2-amino-N-[1-[2-(disulfanyl)ethylamino]-1-oxopropan-2-yl]-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide (CID 146255556) is 2-amino-N-[1-[2-(disulfanyl)ethylamino]-1-oxopropan-2-yl]-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide.
What is the SMILES notation for 2-amino-N-[1-[2-(disulfanyl)ethylamino]-1-oxopropan-2-yl]-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide?
The canonical SMILES for 2-amino-N-[1-[2-(disulfanyl)ethylamino]-1-oxopropan-2-yl]-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide is COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NCCCCC(N)C(=O)NC(C)C(=O)NCCSS.
What is the InChIKey of 2-amino-N-[1-[2-(disulfanyl)ethylamino]-1-oxopropan-2-yl]-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide?
The InChIKey is RTSDSCFZYFIOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H72N4O15S2/c1-32(35(42)39-7-30-57-56)40-36(43)33(37)5-3-4-6-38-34(41)31-55-29-28-54-27-26-53-25-24-52-23-22-51-21-20-50-19-18-49-17-16-48-15-14-47-13-12-46-11-10-45-9-8-44-2/h32-33,56H,3-31,37H2,1-2H3,(H,38,41)(H,39,42)(H,40,43).
What are the key properties of 2-amino-N-[1-[2-(disulfanyl)ethylamino]-1-oxopropan-2-yl]-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide?
2-amino-N-[1-[2-(disulfanyl)ethylamino]-1-oxopropan-2-yl]-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide has a molecular weight of 865.12 g/mol, XLogP of -0.37, 46 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-(disulfanyl)ethylamino]-1-oxopropan-2-yl]-6-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide is sourced from PubChem (CID 146255556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).