Molecules/(2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-ox obutan-2-yl]dodeca-2,4-dienamide
(2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-ox obutan-2-yl]dodeca-2,4-dienamide
(2E,4E)-N-[(2S,3R)-1-[[(4R,5S,8S,10S)-4,10-dihydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-8-yl]amino]-3-hydroxy-1-oxobutan-2-yl]dodeca-2,4-dienamide
Molecular Identity
(2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-ox obutan-2-yl]dodeca-2,4-dienamide
(2E,4E)-N-[(2S,3R)-1-[[(4R,5S,8S,10S)-4,10-dihydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-8-yl]amino]-3-hydroxy-1-oxobutan-2-yl]dodeca-2,4-dienamide
PubChem CID: 24762199
2D Structure
Properties
C27H46N4O7
Molecular Formula
538.70
Molecular Weight
g/mol
538.3366
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
177
TPSA
May have limited oral absorption
7
H-Bond Donors
7
H-Bond Acceptors
817
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(2)
(2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-ox obutan-2-yl]dodeca-2,4-dienamideGDT
Data from PubChem (NCBI)
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Molecular Structure
(2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-ox obutan-2-yl]dodeca-2,4-dienamide
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Drug Network
Trials and conditions connected to (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-ox obutan-2-yl]dodeca-2,4-dienamide
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