Bq 788
sodium (2R)-2-[[(2R)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethylpentanoyl]amino]-3-(1-methoxycarbonylindol-3-yl)propanoyl]amino]hexanoate
Molecular Identity
Bq 788
sodium (2R)-2-[[(2R)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethylpentanoyl]amino]-3-(1-methoxycarbonylindol-3-yl)propanoyl]amino]hexanoate
PubChem CID: 16759603
2D Structure
Properties
C34H50N5NaO7
Molecular Formula
663.80
Molecular Weight
g/mol
663.3608
Exact Mass
Da
162
TPSA
May have limited oral absorption
3
H-Bond Donors
7
H-Bond Acceptors
1080
Complexity
SMILES
Canonical SMILES
SMILES: CCCCC(C(=O)[O-])NC(=O)C(CC1=CN(C2=CC=CC=C21)C(=O)OC)NC(=O)C(CC(C)(C)C)NC(=O)N3C(CCCC3C)C.[Na+]Isomeric SMILES
SMILES: CCCC[C@H](C(=O)[O-])NC(=O)[C@@H](CC1=CN(C2=CC=CC=C21)C(=O)OC)NC(=O)[C@H](CC(C)(C)C)NC(=O)N3[C@@H](CCC[C@@H]3C)C.[Na+]Synonyms(20)
156161-89-6BQ-788BQ788BQ 78844OLL8XEJ4ENB-001D-NORLEUCINE, N-(((2R,6S)-2,6-DIMETHYL-1-PIPERIDINYL)CARBONYL)-4-METHYL-L-LEUCYL-1-(METHOXYCARBONYL)-D-TRYPTOPHYL-, SODIUM SALT (1:1)D-Norleucine, N-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]carbonyl]-4-methyl-L-leucyl-1-(methoxycarbonyl)-D-tryptophyl-, sodium salt (1:1)RefChem:121188DTXCID5088544(2R)-2-(((2R)-2-amino-3-(1-methoxycarbonylindol-3-yl)propanoyl)-((2S)-2-(((2R,6S)-2,6-dimethylpiperidine-1-carbonyl)amino)-4,4-dimethylpentanoyl)amino)hexanoic acidDTXSID40166053BQ-788 sodium saltBQ788 sodium saltSCHEMBL7950700
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Bq 788
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