(5S)-6-methoxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxo-2-(1,3-thiazol-4-ylmethyl)hexanoic acid

C16H19N3O6S — CID 158466516

IUPAC(5S)-6-methoxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxo-2-(1,3-thiazol-4-ylmethyl)hexanoic acid
SMILESCOC[C@H](NC(=O)c1cc(C)on1)C(=O)CC(Cc1cscn1)C(=O)O
InChIInChI=1S/C16H19N3O6S/c1-9-3-12(19-25-9)15(21)18-13(6-24-2)14(20)5-10(16(22)23)4-11-7-26-8-17-11/h3,7-8,10,13H,4-6H2,1-2H3,(H,18,21)(H,22,23)/t10?,13-/m0/s1
InChIKeyGVSWOQCUUDHWHT-HQVZTVAUSA-N
MW381.41 g/mol
LogP1.09
Rot. Bonds10

About (5S)-6-methoxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxo-2-(1,3-thiazol-4-ylmethyl)hexanoic acid

(5S)-6-methoxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxo-2-(1,3-thiazol-4-ylmethyl)hexanoic acid (PubChem CID 158466516) has the molecular formula C16H19N3O6S and a molecular weight of 381.41 g/mol. Its IUPAC name is (5S)-6-methoxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxo-2-(1,3-thiazol-4-ylmethyl)hexanoic acid.

Molecular Properties

Compound Name(5S)-6-methoxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxo-2-(1,3-thiazol-4-ylmethyl)hexanoic acid
PubChem CID158466516
Molecular FormulaC16H19N3O6S
Molecular Weight381.41 g/mol
Exact Mass381.10
IUPAC Name(5S)-6-methoxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxo-2-(1,3-thiazol-4-ylmethyl)hexanoic acid
SMILESCOC[C@H](NC(=O)c1cc(C)on1)C(=O)CC(Cc1cscn1)C(=O)O
InChIInChI=1S/C16H19N3O6S/c1-9-3-12(19-25-9)15(21)18-13(6-24-2)14(20)5-10(16(22)23)4-11-7-26-8-17-11/h3,7-8,10,13H,4-6H2,1-2H3,(H,18,21)(H,22,23)/t10?,13-/m0/s1
InChIKeyGVSWOQCUUDHWHT-HQVZTVAUSA-N
XLogP1.09
TPSA131.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5S)-6-methoxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxo-2-(1,3-thiazol-4-ylmethyl)hexanoic acid?
The IUPAC name of (5S)-6-methoxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxo-2-(1,3-thiazol-4-ylmethyl)hexanoic acid (CID 158466516) is (5S)-6-methoxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxo-2-(1,3-thiazol-4-ylmethyl)hexanoic acid.
What is the SMILES notation for (5S)-6-methoxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxo-2-(1,3-thiazol-4-ylmethyl)hexanoic acid?
The canonical SMILES for (5S)-6-methoxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxo-2-(1,3-thiazol-4-ylmethyl)hexanoic acid is COC[C@H](NC(=O)c1cc(C)on1)C(=O)CC(Cc1cscn1)C(=O)O.
What is the InChIKey of (5S)-6-methoxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxo-2-(1,3-thiazol-4-ylmethyl)hexanoic acid?
The InChIKey is GVSWOQCUUDHWHT-HQVZTVAUSA-N. The full InChI is InChI=1S/C16H19N3O6S/c1-9-3-12(19-25-9)15(21)18-13(6-24-2)14(20)5-10(16(22)23)4-11-7-26-8-17-11/h3,7-8,10,13H,4-6H2,1-2H3,(H,18,21)(H,22,23)/t10?,13-/m0/s1.
What are the key properties of (5S)-6-methoxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxo-2-(1,3-thiazol-4-ylmethyl)hexanoic acid?
(5S)-6-methoxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxo-2-(1,3-thiazol-4-ylmethyl)hexanoic acid has a molecular weight of 381.41 g/mol, XLogP of 1.09, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-methoxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxo-2-(1,3-thiazol-4-ylmethyl)hexanoic acid is sourced from PubChem (CID 158466516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).