Spk-843
bis((2S)-2-aminobutanedioic acid);(1R,3S,5S,7R,9R,13R,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[[2-(dimethylamino)acetyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-[2-(dimethylamino)ethyl]-1,3,5,7,9,13,37-heptahydroxy-17-[(2S)-5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxamide
Molecular Identity
Spk-843
bis((2S)-2-aminobutanedioic acid);(1R,3S,5S,7R,9R,13R,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[[2-(dimethylamino)acetyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-[2-(dimethylamino)ethyl]-1,3,5,7,9,13,37-heptahydroxy-17-[(2S)-5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxamide
PubChem CID: 42622571
2D Structure
Properties
C75H117N7O27
Molecular Formula
1548.80
Molecular Weight
g/mol
1547.7997
Exact Mass
Da
568
TPSA
May have limited oral absorption
19
H-Bond Donors
32
H-Bond Acceptors
2560
Complexity
SMILES
Canonical SMILES
SMILES: CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCN(C)C)OC4C(C(C(C(O4)C)O)NC(=O)CN(C)C)O.C(C(C(=O)O)N)C(=O)O.C(C(C(=O)O)N)C(=O)OIsomeric SMILES
SMILES: C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]\2C[C@H]3[C@@H]([C@H](C[C@](O3)(C[C@H](C[C@H](C[C@H](C[C@H](CC(=O)C[C@H](CC(=O)OC(C(/C=C/C=C/C=C/C=C/C=C/C=C/C=C2)C)[C@@H](C)CCC(CC(=O)C4=CC=C(C=C4)NC)O)O)O)O)O)O)O)O)C(=O)NCCN(C)C)O)NC(=O)CN(C)C)O.C([C@@H](C(=O)O)N)C(=O)O.C([C@@H](C(=O)O)N)C(=O)OSynonyms(8)
SPK-843SPK843RefChem:932089Partricin-A der.AMCIPATRICIN DIASCORBATESPA-843CHEMBL1275839SCHEMBL29406225
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Spk-843
Loading drug network...