Molecules/(2R)-2-[(R)-carboxy-[[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-methoxymethyl]-5-methylidene-2H-1,3-oxazine-4-carboxylic acid
(2R)-2-[(R)-carboxy-[[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-methoxymethyl]-5-methylidene-2H-1,3-oxazine-4-carboxylic acid
(2R)-2-[(R)-carboxy-[[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-methoxymethyl]-5-methylidene-2H-1,3-oxazine-4-carboxylic acid
Molecular Identity
(2R)-2-[(R)-carboxy-[[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-methoxymethyl]-5-methylidene-2H-1,3-oxazine-4-carboxylic acid
(2R)-2-[(R)-carboxy-[[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-methoxymethyl]-5-methylidene-2H-1,3-oxazine-4-carboxylic acid
PubChem CID: 11987678
2D Structure
Properties
C18H18N2O10
Molecular Formula
422.30
Molecular Weight
g/mol
422.0961
Exact Mass
Da
-0.5
XLogP
Drug-like (Lipinski: < 5)
192
TPSA
May have limited oral absorption
5
H-Bond Donors
11
H-Bond Acceptors
771
Complexity
SMILES
Canonical SMILES
SMILES: COC(C1N=C(C(=C)CO1)C(=O)O)(C(=O)O)NC(=O)C(C2=CC=C(C=C2)O)C(=O)OIsomeric SMILES
SMILES: CO[C@]([C@@H]1N=C(C(=C)CO1)C(=O)O)(C(=O)O)NC(=O)[C@H](C2=CC=C(C=C2)O)C(=O)OSynonyms(2)
MOXDB04740
Data from PubChem (NCBI)
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Molecular Structure
(2R)-2-[(R)-carboxy-[[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-methoxymethyl]-5-methylidene-2H-1,3-oxazine-4-carboxylic acid
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Drug Network
Trials and conditions connected to (2R)-2-[(R)-carboxy-[[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-methoxymethyl]-5-methylidene-2H-1,3-oxazine-4-carboxylic acid
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