(2S)-4-methyl-2-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]pentanoic acid;yttrium

C23H34N2O5Y — CID 158647715

IUPAC(2S)-4-methyl-2-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]pentanoic acid;yttrium
SMILESCC(C)C[C@H](NC(=O)C(CCc1ccccc1)CC(=O)CN1CCOCC1)C(=O)O.[Y]
InChIInChI=1S/C23H34N2O5.Y/c1-17(2)14-21(23(28)29)24-22(27)19(9-8-18-6-4-3-5-7-18)15-20(26)16-25-10-12-30-13-11-25;/h3-7,17,19,21H,8-16H2,1-2H3,(H,24,27)(H,28,29);/t19?,21-;/m0./s1
InChIKeyXVUPGSHKQOZMLQ-ANQAEFHNSA-N
MW507.44 g/mol
LogP2.14
Rot. Bonds12

About (2S)-4-methyl-2-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]pentanoic acid;yttrium

(2S)-4-methyl-2-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]pentanoic acid;yttrium (PubChem CID 158647715) has the molecular formula C23H34N2O5Y and a molecular weight of 507.44 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]pentanoic acid;yttrium.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]pentanoic acid;yttrium
PubChem CID158647715
Molecular FormulaC23H34N2O5Y
Molecular Weight507.44 g/mol
Exact Mass507.15
IUPAC Name(2S)-4-methyl-2-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]pentanoic acid;yttrium
SMILESCC(C)C[C@H](NC(=O)C(CCc1ccccc1)CC(=O)CN1CCOCC1)C(=O)O.[Y]
InChIInChI=1S/C23H34N2O5.Y/c1-17(2)14-21(23(28)29)24-22(27)19(9-8-18-6-4-3-5-7-18)15-20(26)16-25-10-12-30-13-11-25;/h3-7,17,19,21H,8-16H2,1-2H3,(H,24,27)(H,28,29);/t19?,21-;/m0./s1
InChIKeyXVUPGSHKQOZMLQ-ANQAEFHNSA-N
XLogP2.14
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,5S)-2-benzyl-7-methyl-5-[[(2S)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanoic acid
CID 159333568
(2S)-2-amino-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-3-phenylpropanamide;bis((2S)-4-methyl-2-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]pentanoic acid);bis(yttrium);hydrate
CID 158664312
(2S)-4-methyl-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanoic acid
CID 118673135
benzyl (2S,5S)-2-benzyl-7-methyl-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanoate
CID 158055447
ethyl (2R,5S)-2-benzyl-7-methyl-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanoate
CID 167614584
benzyl (2R,5S)-5-[[(2S)-2-amino-4-phenylbutanoyl]amino]-2-benzyl-7-methyl-4-oxooctanoate;ethyl (2R,5S)-2-benzyl-7-methyl-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanoate
CID 167614583
methyl (2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoate;(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoic acid
CID 157419605
(2S)-2-[[(2R,5S)-2-(2-methylpropyl)-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-7-phenylheptanoyl]amino]-3-phenylpropanoic acid
CID 86296152
2-[[4-methyl-2-[[[2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]methyl]pentanoyl]amino]-3-phenylpropanoic acid
CID 134372194
(2R,5S)-2-benzyl-N-[(1R,3S,6R)-1,5-dimethyl-2-oxo-7-oxabicyclo[4.1.0]heptan-3-yl]-7-methyl-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanamide
CID 160530939
(5S)-2-benzyl-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-8-morpholin-4-yl-4-oxo-2-(2-phenylethyl)octanoyl]amino]-4-oxooctanamide
CID 158683204
(2R)-2-benzyl-7-methyl-N-[4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-7-morpholin-4-yl-4-oxo-2-(2-phenylethyl)heptanoyl]amino]-4-oxooctanamide
CID 158533901

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]pentanoic acid;yttrium?
The IUPAC name of (2S)-4-methyl-2-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]pentanoic acid;yttrium (CID 158647715) is (2S)-4-methyl-2-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]pentanoic acid;yttrium.
What is the SMILES notation for (2S)-4-methyl-2-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]pentanoic acid;yttrium?
The canonical SMILES for (2S)-4-methyl-2-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]pentanoic acid;yttrium is CC(C)C[C@H](NC(=O)C(CCc1ccccc1)CC(=O)CN1CCOCC1)C(=O)O.[Y].
What is the InChIKey of (2S)-4-methyl-2-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]pentanoic acid;yttrium?
The InChIKey is XVUPGSHKQOZMLQ-ANQAEFHNSA-N. The full InChI is InChI=1S/C23H34N2O5.Y/c1-17(2)14-21(23(28)29)24-22(27)19(9-8-18-6-4-3-5-7-18)15-20(26)16-25-10-12-30-13-11-25;/h3-7,17,19,21H,8-16H2,1-2H3,(H,24,27)(H,28,29);/t19?,21-;/m0./s1.
What are the key properties of (2S)-4-methyl-2-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]pentanoic acid;yttrium?
(2S)-4-methyl-2-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]pentanoic acid;yttrium has a molecular weight of 507.44 g/mol, XLogP of 2.14, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]pentanoic acid;yttrium is sourced from PubChem (CID 158647715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).