N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide

C43H57N7O5 — CID 24879234

IUPACN-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide
SMILESCCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)CCc1ccccn1
InChIInChI=1S/C43H57N7O5/c1-3-4-5-6-7-8-9-13-19-40(52)47-38(29-35-30-44-31-46-35)42(54)48-37(27-32-16-11-10-12-17-32)41(53)49-39(28-33-20-22-36(51)23-21-33)43(55)50(2)26-24-34-18-14-15-25-45-34/h10-12,14-18,20-23,25,30-31,37-39,51H,3-9,13,19,24,26-29H2,1-2H3,(H,44,46)(H,47,52)(H,48,54)(H,49,53)/t37-,38-,39-/m0/s1
InChIKeyKGRSUMUKTYCXCP-IGMOWHQGSA-N
MW751.97 g/mol
LogP5.22
Rot. Bonds24

About N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide

N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide (PubChem CID 24879234) has the molecular formula C43H57N7O5 and a molecular weight of 751.97 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide
PubChem CID24879234
Molecular FormulaC43H57N7O5
Molecular Weight751.97 g/mol
Exact Mass751.44
IUPAC NameN-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide
SMILESCCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)CCc1ccccn1
InChIInChI=1S/C43H57N7O5/c1-3-4-5-6-7-8-9-13-19-40(52)47-38(29-35-30-44-31-46-35)42(54)48-37(27-32-16-11-10-12-17-32)41(53)49-39(28-33-20-22-36(51)23-21-33)43(55)50(2)26-24-34-18-14-15-25-45-34/h10-12,14-18,20-23,25,30-31,37-39,51H,3-9,13,19,24,26-29H2,1-2H3,(H,44,46)(H,47,52)(H,48,54)(H,49,53)/t37-,38-,39-/m0/s1
InChIKeyKGRSUMUKTYCXCP-IGMOWHQGSA-N
XLogP5.22
TPSA169.41 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.97
LogP ≤ 55.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide?
The IUPAC name of N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide (CID 24879234) is N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide.
What is the SMILES notation for N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide?
The canonical SMILES for N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide is CCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)CCc1ccccn1.
What is the InChIKey of N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide?
The InChIKey is KGRSUMUKTYCXCP-IGMOWHQGSA-N. The full InChI is InChI=1S/C43H57N7O5/c1-3-4-5-6-7-8-9-13-19-40(52)47-38(29-35-30-44-31-46-35)42(54)48-37(27-32-16-11-10-12-17-32)41(53)49-39(28-33-20-22-36(51)23-21-33)43(55)50(2)26-24-34-18-14-15-25-45-34/h10-12,14-18,20-23,25,30-31,37-39,51H,3-9,13,19,24,26-29H2,1-2H3,(H,44,46)(H,47,52)(H,48,54)(H,49,53)/t37-,38-,39-/m0/s1.
What are the key properties of N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide?
N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide has a molecular weight of 751.97 g/mol, XLogP of 5.22, 24 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide is sourced from PubChem (CID 24879234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).