Molecules/N-((3S,4S)-5-[(4-Bromobenzyl)oxy]-3-hydroxy-4-{[N-(pyridin-2-ylcarbonyl)-L-valyl]amino}pentanoyl)-L-alanyl-L-leucinamide
N-((3S,4S)-5-[(4-Bromobenzyl)oxy]-3-hydroxy-4-{[N-(pyridin-2-ylcarbonyl)-L-valyl]amino}pentanoyl)-L-alanyl-L-leucinamide
N-[(2S)-1-[[(2S,3S)-5-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-[(4-bromophenyl)methoxy]-3-hydroxy-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
Molecular Identity
N-((3S,4S)-5-[(4-Bromobenzyl)oxy]-3-hydroxy-4-{[N-(pyridin-2-ylcarbonyl)-L-valyl]amino}pentanoyl)-L-alanyl-L-leucinamide
N-[(2S)-1-[[(2S,3S)-5-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-[(4-bromophenyl)methoxy]-3-hydroxy-5-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
PubChem CID: 6539221
2D Structure
Properties
C32H45BrN6O7
Molecular Formula
705.60
Molecular Weight
g/mol
704.2533
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
202
TPSA
May have limited oral absorption
6
H-Bond Donors
8
H-Bond Acceptors
1010
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)CC(C(=O)N)NC(=O)C(C)NC(=O)CC(C(COCC1=CC=C(C=C1)Br)NC(=O)C(C(C)C)NC(=O)C2=CC=CC=N2)OIsomeric SMILES
SMILES: C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)C[C@@H]([C@H](COCC1=CC=C(C=C1)Br)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=N2)OSynonyms(10)
CHEMBL112598N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-L-VALYL]AMINO}PENTANOYL)-L-ALANYL-L-LEUCINAMIDEStatine-like inhibitor 161w6hBDBM7977TITQ27466446(3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}ethyl]-3-hydroxy-4-[(2S)-3-methyl-2-(pyridin-2-ylformamido)butanamido]pentanamideN-[(1S)-1-{[(1S,2S)-1-{[(4-bromobenzyl)oxy]methyl}-4-{[(1S)-2-{[(1S)-1-carbamoyl-3-methylbutyl]amino}-1-methyl-2-oxoethyl]amino}-2-hydroxy-4-oxobutyl]carbamoyl}-2-methylpropyl]pyridine-2-carboxamide (non-preferred name)Pyridine-2-carboxylic Acid ((S)-1-{(1S,2S)-1-(4-Bromobenzyloxymethyl)3-[(S)-1-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)ethylcarbamoyl]-2-hydroxypropylcarbamoyl}-2-methylpropyl)amide
Data from PubChem (NCBI)
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Molecular Structure
N-((3S,4S)-5-[(4-Bromobenzyl)oxy]-3-hydroxy-4-{[N-(pyridin-2-ylcarbonyl)-L-valyl]amino}pentanoyl)-L-alanyl-L-leucinamide
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Drug Network
Trials and conditions connected to N-((3S,4S)-5-[(4-Bromobenzyl)oxy]-3-hydroxy-4-{[N-(pyridin-2-ylcarbonyl)-L-valyl]amino}pentanoyl)-L-alanyl-L-leucinamide
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