4-[2-[2-[2-[bis[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]-4-oxobutanoic acid

C82H152N18O20 — CID 132601810

IUPAC4-[2-[2-[2-[bis[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]-4-oxobutanoic acid
SMILESCC(C)C(=O)NCCN(CCN(CCN(CCN(CCNC(=O)C(C)C)CCN(CCNC(=O)C(C)C)C(=O)CCC(=O)O)CCN(CCNC(=O)C(C)C)CCN(CCNC(=O)C(C)C)C(=O)CCC(=O)O)CCN(CCNC(=O)C(C)C)CCN(CCNC(=O)C(C)C)C(=O)CCC(=O)O)CCN(CCNC(=O)C(C)C)C(=O)CCC(=O)O
InChIInChI=1S/C82H152N18O20/c1-59(2)75(113)83-25-33-91(51-55-97(67(101)17-21-71(105)106)37-29-87-79(117)63(9)10)41-45-95(46-42-92(34-26-84-76(114)60(3)4)52-56-98(68(102)18-22-72(107)108)38-30-88-80(118)64(11)12)49-50-96(47-43-93(35-27-85-77(115)61(5)6)53-57-99(69(103)19-23-73(109)110)39-31-89-81(119)65(13)14)48-44-94(36-28-86-78(116)62(7)8)54-58-100(70(104)20-24-74(111)112)40-32-90-82(120)66(15)16/h59-66H,17-58H2,1-16H3,(H,83,113)(H,84,114)(H,85,115)(H,86,116)(H,87,117)(H,88,118)(H,89,119)(H,90,120)(H,105,106)(H,107,108)(H,109,110)(H,111,112)
InChIKeyKRCXVUNJRIWVKD-UHFFFAOYSA-N
MW1710.22 g/mol
LogP-0.25
Rot. Bonds71

About 4-[2-[2-[2-[bis[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]-4-oxobutanoic acid

4-[2-[2-[2-[bis[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]-4-oxobutanoic acid (PubChem CID 132601810) has the molecular formula C82H152N18O20 and a molecular weight of 1710.22 g/mol. Its IUPAC name is 4-[2-[2-[2-[bis[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-[2-[2-[bis[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]-4-oxobutanoic acid
PubChem CID132601810
Molecular FormulaC82H152N18O20
Molecular Weight1710.22 g/mol
Exact Mass1709.14
IUPAC Name4-[2-[2-[2-[bis[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]-4-oxobutanoic acid
SMILESCC(C)C(=O)NCCN(CCN(CCN(CCN(CCNC(=O)C(C)C)CCN(CCNC(=O)C(C)C)C(=O)CCC(=O)O)CCN(CCNC(=O)C(C)C)CCN(CCNC(=O)C(C)C)C(=O)CCC(=O)O)CCN(CCNC(=O)C(C)C)CCN(CCNC(=O)C(C)C)C(=O)CCC(=O)O)CCN(CCNC(=O)C(C)C)C(=O)CCC(=O)O
InChIInChI=1S/C82H152N18O20/c1-59(2)75(113)83-25-33-91(51-55-97(67(101)17-21-71(105)106)37-29-87-79(117)63(9)10)41-45-95(46-42-92(34-26-84-76(114)60(3)4)52-56-98(68(102)18-22-72(107)108)38-30-88-80(118)64(11)12)49-50-96(47-43-93(35-27-85-77(115)61(5)6)53-57-99(69(103)19-23-73(109)110)39-31-89-81(119)65(13)14)48-44-94(36-28-86-78(116)62(7)8)54-58-100(70(104)20-24-74(111)112)40-32-90-82(120)66(15)16/h59-66H,17-58H2,1-16H3,(H,83,113)(H,84,114)(H,85,115)(H,86,116)(H,87,117)(H,88,118)(H,89,119)(H,90,120)(H,105,106)(H,107,108)(H,109,110)(H,111,112)
InChIKeyKRCXVUNJRIWVKD-UHFFFAOYSA-N
XLogP-0.25
TPSA482.68 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds71
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001710.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Analyze 4-[2-[2-[2-[bis[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(3-(2-methylpropanoylamino)propanoic acid);tetrahydrate
CID 174949925
4-[bis(2-hydrazinylethyl)amino]-4-oxobutanoic acid
CID 174740096
3-[2-[bis(2-carboxyethyl)amino]ethyl-(2-carboxyethyl)amino]propanoic acid;ethane
CID 145349461
3-[butanoyl-[2-(diethylamino)ethyl]amino]propanoic acid
CID 82323396
3-[2-carboxyethyl-[2-[2-carboxyethyl(decanoyl)amino]ethyl]amino]propanoic acid
CID 19347829
N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-methylpropanamide
CID 113056803
N-[2-(prop-2-enoylamino)ethyl]-3-[2-(prop-2-enoylamino)ethyl-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]amino]-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]propanamide
CID 154023788
4-[3-methylpentyl(propyl)amino]-4-oxobutanoic acid
CID 146341512
3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid
CID 82328942
4-[bis[3-(3,3-dimethylbutanoylamino)propyl]amino]-4-oxobutanoic acid
CID 102326203
N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide
CID 113052235
4-[2-[bis[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]amino]ethylamino]-4-oxobutanoic acid
CID 90971469

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-[bis[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[2-[2-[2-[bis[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]-4-oxobutanoic acid (CID 132601810) is 4-[2-[2-[2-[bis[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-[2-[2-[bis[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-[2-[2-[bis[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]-4-oxobutanoic acid is CC(C)C(=O)NCCN(CCN(CCN(CCN(CCNC(=O)C(C)C)CCN(CCNC(=O)C(C)C)C(=O)CCC(=O)O)CCN(CCNC(=O)C(C)C)CCN(CCNC(=O)C(C)C)C(=O)CCC(=O)O)CCN(CCNC(=O)C(C)C)CCN(CCNC(=O)C(C)C)C(=O)CCC(=O)O)CCN(CCNC(=O)C(C)C)C(=O)CCC(=O)O.
What is the InChIKey of 4-[2-[2-[2-[bis[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]-4-oxobutanoic acid?
The InChIKey is KRCXVUNJRIWVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H152N18O20/c1-59(2)75(113)83-25-33-91(51-55-97(67(101)17-21-71(105)106)37-29-87-79(117)63(9)10)41-45-95(46-42-92(34-26-84-76(114)60(3)4)52-56-98(68(102)18-22-72(107)108)38-30-88-80(118)64(11)12)49-50-96(47-43-93(35-27-85-77(115)61(5)6)53-57-99(69(103)19-23-73(109)110)39-31-89-81(119)65(13)14)48-44-94(36-28-86-78(116)62(7)8)54-58-100(70(104)20-24-74(111)112)40-32-90-82(120)66(15)16/h59-66H,17-58H2,1-16H3,(H,83,113)(H,84,114)(H,85,115)(H,86,116)(H,87,117)(H,88,118)(H,89,119)(H,90,120)(H,105,106)(H,107,108)(H,109,110)(H,111,112).
What are the key properties of 4-[2-[2-[2-[bis[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]-4-oxobutanoic acid?
4-[2-[2-[2-[bis[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]-4-oxobutanoic acid has a molecular weight of 1710.22 g/mol, XLogP of -0.25, 71 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-[bis[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 132601810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).