(Z)-N-[6-amino-1-[[6-amino-1-[3-[4-[3-[[6-amino-2-[[6-amino-2-[[(Z)-octadec-9-enoyl]amino]hexanoyl]amino]hexanoyl]amino]propylamino]butylamino]propylamino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]octadec-9-enamide

C70H138N12O6 — CID 10396619

IUPAC(Z)-N-[6-amino-1-[[6-amino-1-[3-[4-[3-[[6-amino-2-[[6-amino-2-[[(Z)-octadec-9-enoyl]amino]hexanoyl]amino]hexanoyl]amino]propylamino]butylamino]propylamino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCCCNCCCCNCCCNC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C70H138N12O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-49-65(83)79-63(47-35-39-53-73)69(87)81-61(45-33-37-51-71)67(85)77-59-43-57-75-55-41-42-56-76-58-44-60-78-68(86)62(46-34-38-52-72)82-70(88)64(48-36-40-54-74)80-66(84)50-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,61-64,75-76H,3-16,21-60,71-74H2,1-2H3,(H,77,85)(H,78,86)(H,79,83)(H,80,84)(H,81,87)(H,82,88)/b19-17-,20-18-
InChIKeyXVDQDJMFSTWWJY-CLFAGFIQSA-N
MW1243.95 g/mol
LogP10.49
Rot. Bonds67

About (Z)-N-[6-amino-1-[[6-amino-1-[3-[4-[3-[[6-amino-2-[[6-amino-2-[[(Z)-octadec-9-enoyl]amino]hexanoyl]amino]hexanoyl]amino]propylamino]butylamino]propylamino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]octadec-9-enamide

(Z)-N-[6-amino-1-[[6-amino-1-[3-[4-[3-[[6-amino-2-[[6-amino-2-[[(Z)-octadec-9-enoyl]amino]hexanoyl]amino]hexanoyl]amino]propylamino]butylamino]propylamino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]octadec-9-enamide (PubChem CID 10396619) has the molecular formula C70H138N12O6 and a molecular weight of 1243.95 g/mol. Its IUPAC name is (Z)-N-[6-amino-1-[[6-amino-1-[3-[4-[3-[[6-amino-2-[[6-amino-2-[[(Z)-octadec-9-enoyl]amino]hexanoyl]amino]hexanoyl]amino]propylamino]butylamino]propylamino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[6-amino-1-[[6-amino-1-[3-[4-[3-[[6-amino-2-[[6-amino-2-[[(Z)-octadec-9-enoyl]amino]hexanoyl]amino]hexanoyl]amino]propylamino]butylamino]propylamino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]octadec-9-enamide
PubChem CID10396619
Molecular FormulaC70H138N12O6
Molecular Weight1243.95 g/mol
Exact Mass1243.09
IUPAC Name(Z)-N-[6-amino-1-[[6-amino-1-[3-[4-[3-[[6-amino-2-[[6-amino-2-[[(Z)-octadec-9-enoyl]amino]hexanoyl]amino]hexanoyl]amino]propylamino]butylamino]propylamino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCCCNCCCCNCCCNC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C70H138N12O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-49-65(83)79-63(47-35-39-53-73)69(87)81-61(45-33-37-51-71)67(85)77-59-43-57-75-55-41-42-56-76-58-44-60-78-68(86)62(46-34-38-52-72)82-70(88)64(48-36-40-54-74)80-66(84)50-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,61-64,75-76H,3-16,21-60,71-74H2,1-2H3,(H,77,85)(H,78,86)(H,79,83)(H,80,84)(H,81,87)(H,82,88)/b19-17-,20-18-
InChIKeyXVDQDJMFSTWWJY-CLFAGFIQSA-N
XLogP10.49
TPSA302.74 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds67
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001243.95
LogP ≤ 510.49
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze (Z)-N-[6-amino-1-[[6-amino-1-[3-[4-[3-[[6-amino-2-[[6-amino-2-[[(Z)-octadec-9-enoyl]amino]hexanoyl]amino]hexanoyl]amino]propylamino]butylamino]propylamino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]octadec-9-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[6-amino-1-[[6-amino-1-[3-[4-[3-[[6-amino-2-[[6-amino-2-[[(Z)-octadec-9-enoyl]amino]hexanoyl]amino]hexanoyl]amino]propylamino]butylamino]propylamino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]octadec-9-enamide?
The IUPAC name of (Z)-N-[6-amino-1-[[6-amino-1-[3-[4-[3-[[6-amino-2-[[6-amino-2-[[(Z)-octadec-9-enoyl]amino]hexanoyl]amino]hexanoyl]amino]propylamino]butylamino]propylamino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]octadec-9-enamide (CID 10396619) is (Z)-N-[6-amino-1-[[6-amino-1-[3-[4-[3-[[6-amino-2-[[6-amino-2-[[(Z)-octadec-9-enoyl]amino]hexanoyl]amino]hexanoyl]amino]propylamino]butylamino]propylamino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]octadec-9-enamide.
What is the SMILES notation for (Z)-N-[6-amino-1-[[6-amino-1-[3-[4-[3-[[6-amino-2-[[6-amino-2-[[(Z)-octadec-9-enoyl]amino]hexanoyl]amino]hexanoyl]amino]propylamino]butylamino]propylamino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]octadec-9-enamide?
The canonical SMILES for (Z)-N-[6-amino-1-[[6-amino-1-[3-[4-[3-[[6-amino-2-[[6-amino-2-[[(Z)-octadec-9-enoyl]amino]hexanoyl]amino]hexanoyl]amino]propylamino]butylamino]propylamino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCCCNCCCCNCCCNC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-N-[6-amino-1-[[6-amino-1-[3-[4-[3-[[6-amino-2-[[6-amino-2-[[(Z)-octadec-9-enoyl]amino]hexanoyl]amino]hexanoyl]amino]propylamino]butylamino]propylamino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]octadec-9-enamide?
The InChIKey is XVDQDJMFSTWWJY-CLFAGFIQSA-N. The full InChI is InChI=1S/C70H138N12O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-49-65(83)79-63(47-35-39-53-73)69(87)81-61(45-33-37-51-71)67(85)77-59-43-57-75-55-41-42-56-76-58-44-60-78-68(86)62(46-34-38-52-72)82-70(88)64(48-36-40-54-74)80-66(84)50-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,61-64,75-76H,3-16,21-60,71-74H2,1-2H3,(H,77,85)(H,78,86)(H,79,83)(H,80,84)(H,81,87)(H,82,88)/b19-17-,20-18-.
What are the key properties of (Z)-N-[6-amino-1-[[6-amino-1-[3-[4-[3-[[6-amino-2-[[6-amino-2-[[(Z)-octadec-9-enoyl]amino]hexanoyl]amino]hexanoyl]amino]propylamino]butylamino]propylamino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]octadec-9-enamide?
(Z)-N-[6-amino-1-[[6-amino-1-[3-[4-[3-[[6-amino-2-[[6-amino-2-[[(Z)-octadec-9-enoyl]amino]hexanoyl]amino]hexanoyl]amino]propylamino]butylamino]propylamino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]octadec-9-enamide has a molecular weight of 1243.95 g/mol, XLogP of 10.49, 67 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[6-amino-1-[[6-amino-1-[3-[4-[3-[[6-amino-2-[[6-amino-2-[[(Z)-octadec-9-enoyl]amino]hexanoyl]amino]hexanoyl]amino]propylamino]butylamino]propylamino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]octadec-9-enamide is sourced from PubChem (CID 10396619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).