Molecules/(2S)-2-[[(2S)-1-[[(4R,5S,8S,9E)-4-hydroxy-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododec-9-en-8-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoic acid
(2S)-2-[[(2S)-1-[[(4R,5S,8S,9E)-4-hydroxy-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododec-9-en-8-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoic acid
(2S)-2-[[(2S)-1-[[(4R,5S,8S,9E)-4-hydroxy-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododec-9-en-8-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoic acid
Molecular Identity
(2S)-2-[[(2S)-1-[[(4R,5S,8S,9E)-4-hydroxy-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododec-9-en-8-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoic acid
(2S)-2-[[(2S)-1-[[(4R,5S,8S,9E)-4-hydroxy-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododec-9-en-8-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoic acid
PubChem CID: 24762198
2D Structure
Properties
C24H41N5O7
Molecular Formula
511.60
Molecular Weight
g/mol
511.3006
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
186
TPSA
May have limited oral absorption
7
H-Bond Donors
7
H-Bond Acceptors
828
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C1C(CC(=O)NCCC=CC(C(=O)N1)NC(=O)C(C(C)C)NC(=O)NC(C(C)C)C(=O)O)OIsomeric SMILES
SMILES: CC(C)[C@H]1[C@@H](CC(=O)NCC/C=C/[C@@H](C(=O)N1)NC(=O)[C@H](C(C)C)NC(=O)N[C@@H](C(C)C)C(=O)O)OSynonyms(1)
SRG
Data from PubChem (NCBI)
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Molecular Structure
(2S)-2-[[(2S)-1-[[(4R,5S,8S,9E)-4-hydroxy-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododec-9-en-8-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoic acid
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Drug Network
Trials and conditions connected to (2S)-2-[[(2S)-1-[[(4R,5S,8S,9E)-4-hydroxy-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododec-9-en-8-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoic acid
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