CS-8958
3-acetamido-4-(diaminomethylideneamino)-2-(2-hydroxy-1-methoxy-3-octanoyloxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
Molecular Identity
CS-8958
3-acetamido-4-(diaminomethylideneamino)-2-(2-hydroxy-1-methoxy-3-octanoyloxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
PubChem CID: 20751579
2D Structure
Properties
C21H36N4O8
Molecular Formula
472.50
Molecular Weight
g/mol
472.2533
Exact Mass
Da
0.4
XLogP
Drug-like (Lipinski: < 5)
196
TPSA
May have limited oral absorption
5
H-Bond Donors
9
H-Bond Acceptors
723
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCC(=O)OCC(C(C1C(C(C=C(O1)C(=O)O)N=C(N)N)NC(=O)C)OC)OIsomeric SMILES
SMILES: CCCCCCCC(=O)OCC(C(C1C(C(C=C(O1)C(=O)O)N=C(N)N)NC(=O)C)OC)OSynonyms(7)
DTXSID301033160CS-8958CS 8958RefChem:919240DTXCID00199822CS8958HMS5087P04
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to CS-8958
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