Bio-11006
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-acetamidoacetyl)amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-6-aminohexanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]propanoyl]amino]-6-aminohexanoic acid
Molecular Identity
Bio-11006
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-acetamidoacetyl)amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-6-aminohexanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]propanoyl]amino]-6-aminohexanoic acid
PubChem CID: 11622197
2D Structure
Properties
C46H75N13O15
Molecular Formula
1050.20
Molecular Weight
g/mol
1049.5506
Exact Mass
Da
-7.1
XLogP
Drug-like (Lipinski: < 5)
464
TPSA
May have limited oral absorption
16
H-Bond Donors
17
H-Bond Acceptors
1920
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)CNC(=O)C)OIsomeric SMILES
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)CNC(=O)C)OSynonyms(18)
BIO-11006AC-GAQFSKTAAK(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-acetamidoacetyl)amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-6-aminohexanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]propanoyl]amino]-6-aminohexanoic acidL-LYSINE, N-ACETYLGLYCYL-L-ALANYL-L-GLUTAMINYL-L-THREONYL-L-SERYL-L-LYSYL-L-THREONYL-L-ALANYL-L-ALANYL-N-ACETYLGLYCYL-L-ALANYL-L-GLUTAMINYL-L-THREONYL-L-SERYL-L-LYSYL-L-THREONYL-L-ALANYL-L-ALANYL-L-LYSINE(2S)-2-(((2S)-2-(((2S)-2-(((2S,3R)-2-(((2S)-2-(((2S)-2-(((2S)-2-(((2S)-2-(((2S)-2-((2-acetamidoacetyl)amino)propanoyl)amino)-5-amino-5-oxopentanoyl)amino)-3-phenylpropanoyl)amino)-3-hydroxypropanoyl)amino)-6-aminohexanoyl)amino)-3-hydroxybutanoyl)amino)propanoyl)amino)propanoyl)amino)-6-aminohexanoic acidRefChem:119841Aerosolized BIO-11006UNII-609AWV0US2BIO11006MARCKS Protein Inhibitor BIO-11006Myristoylated Alanine Rich C Kinase Substrate Inhibitor BIO-11006901117-03-1609AWV0US2orb2813743
Data from PubChem (NCBI)
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