CID 159371508

C27H31N4O5Te — CID 159371508

IUPAC—
SMILESC[C@@](COC1CCCCO1)(C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cn([Te])nn1)C(=O)O
InChIInChI=1S/C27H31N4O5Te/c1-27(26(33)34,18-36-24-9-5-6-14-35-24)16-22(28-25(32)23-17-31(37)30-29-23)15-19-10-12-21(13-11-19)20-7-3-2-4-8-20/h2-4,7-8,10-13,17,22,24H,5-6,9,14-16,18H2,1H3,(H,28,32)(H,33,34)/t22-,24?,27+/m1/s1
InChIKeyYQICSLJABZVDRY-BPMXUHRXSA-N
MW619.17 g/mol
LogP3.24
Rot. Bonds11

About CID 159371508

CID 159371508 (PubChem CID 159371508) has the molecular formula C27H31N4O5Te and a molecular weight of 619.17 g/mol.

Molecular Properties

Compound NameCID 159371508
PubChem CID159371508
Molecular FormulaC27H31N4O5Te
Molecular Weight619.17 g/mol
Exact Mass621.14
IUPAC Name—
SMILESC[C@@](COC1CCCCO1)(C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cn([Te])nn1)C(=O)O
InChIInChI=1S/C27H31N4O5Te/c1-27(26(33)34,18-36-24-9-5-6-14-35-24)16-22(28-25(32)23-17-31(37)30-29-23)15-19-10-12-21(13-11-19)20-7-3-2-4-8-20/h2-4,7-8,10-13,17,22,24H,5-6,9,14-16,18H2,1H3,(H,28,32)(H,33,34)/t22-,24?,27+/m1/s1
InChIKeyYQICSLJABZVDRY-BPMXUHRXSA-N
XLogP3.24
TPSA115.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.17
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 159371507
CID 159371507
CID 158567872
CID 158567872
benzyl (2S,4R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-2-yloxymethyl)pentanoate
CID 122485512
(2S,4R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-4-[[1-(2-hydroxyethyl)triazole-4-carbonyl]amino]-2-(methoxymethyl)-2-methylpentanoic acid
CID 118253956
(2S,4R)-4-amino-2-(methoxymethyl)-2-methyl-5-(4-phenylphenyl)pentanoic acid;(2S,4R)-2-(methoxymethyl)-2-methyl-5-(4-phenylphenyl)-4-(2H-triazole-4-carbonylamino)pentanoic acid;2H-triazole-4-carboxylic acid
CID 162193345
(4R)-5-[4-(3-fluorophenyl)phenyl]-2-(hydroxymethyl)-2-methyl-4-(2H-triazole-4-carbonylamino)pentanoic acid
CID 134185587
2-(hydroxymethyl)-2-methyl-5-[4-(2-methylphenyl)phenyl]-4-(2H-triazole-4-carbonylamino)pentanoic acid
CID 123412093
tert-butyl N-[(2S,3S)-3-(oxan-2-yloxy)-4-oxo-1-phenylbutan-2-yl]carbamate
CID 57055042
2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
CID 86055226
(2S,4R)-4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-(hydroxymethyl)-2-methylpentanoic acid;(2S,4R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-(hydroxymethyl)-2-methyl-4-[[1-(2-methylpropyl)triazole-4-carbonyl]amino]pentanoic acid;methane;3-(2-methylpropyl)-1,2-oxazole-5-carboxylic acid
CID 165052704
methyl (2S)-2-(oxan-2-yloxy)-3-phenylpropanoate
CID 14804719
N-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide
CID 10182459

Frequently Asked Questions

What is the IUPAC name of CID 159371508?
The IUPAC name of CID 159371508 (CID 159371508) is not available.
What is the SMILES notation for CID 159371508?
The canonical SMILES for CID 159371508 is C[C@@](COC1CCCCO1)(C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cn([Te])nn1)C(=O)O.
What is the InChIKey of CID 159371508?
The InChIKey is YQICSLJABZVDRY-BPMXUHRXSA-N. The full InChI is InChI=1S/C27H31N4O5Te/c1-27(26(33)34,18-36-24-9-5-6-14-35-24)16-22(28-25(32)23-17-31(37)30-29-23)15-19-10-12-21(13-11-19)20-7-3-2-4-8-20/h2-4,7-8,10-13,17,22,24H,5-6,9,14-16,18H2,1H3,(H,28,32)(H,33,34)/t22-,24?,27+/m1/s1.
What are the key properties of CID 159371508?
CID 159371508 has a molecular weight of 619.17 g/mol, XLogP of 3.24, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159371508 is sourced from PubChem (CID 159371508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).