Molecules/(2R)-2-[(S)-[[(2R)-2-amino-2-phenylacetyl]amino]-carboxymethyl]-5-chloro-2,3,4,5-tetrahydropyridine-6-carboxylic acid
(2R)-2-[(S)-[[(2R)-2-amino-2-phenylacetyl]amino]-carboxymethyl]-5-chloro-2,3,4,5-tetrahydropyridine-6-carboxylic acid
(2R)-2-[(S)-[[(2R)-2-amino-2-phenylacetyl]amino]-carboxymethyl]-5-chloro-2,3,4,5-tetrahydropyridine-6-carboxylic acid
Molecular Identity
(2R)-2-[(S)-[[(2R)-2-amino-2-phenylacetyl]amino]-carboxymethyl]-5-chloro-2,3,4,5-tetrahydropyridine-6-carboxylic acid
(2R)-2-[(S)-[[(2R)-2-amino-2-phenylacetyl]amino]-carboxymethyl]-5-chloro-2,3,4,5-tetrahydropyridine-6-carboxylic acid
PubChem CID: 445567
2D Structure
Properties
C16H18ClN3O5
Molecular Formula
367.78
Molecular Weight
g/mol
367.0935
Exact Mass
Da
-1.8
XLogP
Drug-like (Lipinski: < 5)
142
TPSA
May have limited oral absorption
4
H-Bond Donors
7
H-Bond Acceptors
562
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(N=C(C1Cl)C(=O)O)C(C(=O)O)NC(=O)C(C2=CC=CC=C2)NIsomeric SMILES
SMILES: C1CC(C(=N[C@H]1[C@@H](C(=O)O)NC(=O)[C@@H](C2=CC=CC=C2)N)C(=O)O)ClSynonyms(1)
LOR
Data from PubChem (NCBI)
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Molecular Structure
(2R)-2-[(S)-[[(2R)-2-amino-2-phenylacetyl]amino]-carboxymethyl]-5-chloro-2,3,4,5-tetrahydropyridine-6-carboxylic acid
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Drug Network
Trials and conditions connected to (2R)-2-[(S)-[[(2R)-2-amino-2-phenylacetyl]amino]-carboxymethyl]-5-chloro-2,3,4,5-tetrahydropyridine-6-carboxylic acid
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