(2S)-N-methyl-2-(methylamino)-N-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide

C58H66N6O5 — CID 122201510

IUPAC(2S)-N-methyl-2-(methylamino)-N-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
SMILESCN[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C58H66N6O5/c1-59-49(38-44-26-14-7-15-27-44)55(66)62(3)51(40-46-30-18-9-19-31-46)57(68)64(5)53(42-48-34-22-11-23-35-48)58(69)63(4)52(41-47-32-20-10-21-33-47)56(67)61(2)50(39-45-28-16-8-17-29-45)54(65)60-37-36-43-24-12-6-13-25-43/h6-35,49-53,59H,36-42H2,1-5H3,(H,60,65)/t49-,50-,51-,52-,53-/m0/s1
InChIKeyMCXRLTPVRAFSPG-QDDNDEIWSA-N
MW927.20 g/mol
LogP6.45
Rot. Bonds23

About (2S)-N-methyl-2-(methylamino)-N-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide

(2S)-N-methyl-2-(methylamino)-N-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide (PubChem CID 122201510) has the molecular formula C58H66N6O5 and a molecular weight of 927.20 g/mol. Its IUPAC name is (2S)-N-methyl-2-(methylamino)-N-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-(methylamino)-N-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
PubChem CID122201510
Molecular FormulaC58H66N6O5
Molecular Weight927.20 g/mol
Exact Mass926.51
IUPAC Name(2S)-N-methyl-2-(methylamino)-N-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
SMILESCN[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C58H66N6O5/c1-59-49(38-44-26-14-7-15-27-44)55(66)62(3)51(40-46-30-18-9-19-31-46)57(68)64(5)53(42-48-34-22-11-23-35-48)58(69)63(4)52(41-47-32-20-10-21-33-47)56(67)61(2)50(39-45-28-16-8-17-29-45)54(65)60-37-36-43-24-12-6-13-25-43/h6-35,49-53,59H,36-42H2,1-5H3,(H,60,65)/t49-,50-,51-,52-,53-/m0/s1
InChIKeyMCXRLTPVRAFSPG-QDDNDEIWSA-N
XLogP6.45
TPSA122.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.20
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-methyl-2-(methylamino)-N-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-(methylamino)-N-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide?
The IUPAC name of (2S)-N-methyl-2-(methylamino)-N-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide (CID 122201510) is (2S)-N-methyl-2-(methylamino)-N-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-methyl-2-(methylamino)-N-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide?
The canonical SMILES for (2S)-N-methyl-2-(methylamino)-N-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide is CN[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1.
What is the InChIKey of (2S)-N-methyl-2-(methylamino)-N-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide?
The InChIKey is MCXRLTPVRAFSPG-QDDNDEIWSA-N. The full InChI is InChI=1S/C58H66N6O5/c1-59-49(38-44-26-14-7-15-27-44)55(66)62(3)51(40-46-30-18-9-19-31-46)57(68)64(5)53(42-48-34-22-11-23-35-48)58(69)63(4)52(41-47-32-20-10-21-33-47)56(67)61(2)50(39-45-28-16-8-17-29-45)54(65)60-37-36-43-24-12-6-13-25-43/h6-35,49-53,59H,36-42H2,1-5H3,(H,60,65)/t49-,50-,51-,52-,53-/m0/s1.
What are the key properties of (2S)-N-methyl-2-(methylamino)-N-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide?
(2S)-N-methyl-2-(methylamino)-N-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide has a molecular weight of 927.20 g/mol, XLogP of 6.45, 23 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-(methylamino)-N-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-[methyl-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 122201510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).