Mipsagargin
(2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(2S)-4-[[12-[[(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-7-octanoyloxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-4-yl]oxy]-12-oxododecyl]amino]-2-amino-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
Molecular Identity
Mipsagargin
(2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(2S)-4-[[12-[[(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-7-octanoyloxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-4-yl]oxy]-12-oxododecyl]amino]-2-amino-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
PubChem CID: 24772106
2D Structure
Properties
C66H100N6O27
Molecular Formula
1409.50
Molecular Weight
g/mol
1408.6636
Exact Mass
Da
-0.4
XLogP
Drug-like (Lipinski: < 5)
530
TPSA
May have limited oral absorption
13
H-Bond Donors
28
H-Bond Acceptors
2990
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Mipsagargin1245732-48-2G-202MipsagarginaMipsagargineQ032I35QMXmipsagarginumRefChem:1089755(2S)-2-(((4S)-4-(((4S)-4-(((4S)-4-(((2S)-4-((12-(((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-((Z)-2-methylbut-2-enoyl)oxy-7-octanoyloxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno(4,5-b)furan-4-yl)oxy)-12-oxododecyl)amino)-2-amino-4-oxobutanoyl)amino)-4-carboxybutanoyl)amino)-4-carboxybutanoyl)amino)-4-carboxybutanoyl)amino)pentanedioic acidMipsagargin [USAN:INN]UNII-Q032I35QMXMipsagargin [INN]Mipsagargin (USAN/INN)MIPSAGARGIN [USAN]MIPSAGARGIN [WHO-DD]
Data from PubChem (NCBI)
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