ATN-161
(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]butanediamide
Molecular Identity
ATN-161
(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]butanediamide
PubChem CID: 9960285
2D Structure
Properties
C23H35N9O8S
Molecular Formula
597.60
Molecular Weight
g/mol
597.2329
Exact Mass
Da
-4.7
XLogP
Drug-like (Lipinski: < 5)
273
TPSA
May have limited oral absorption
9
H-Bond Donors
10
H-Bond Acceptors
1020
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
ATN-161262438-43-7ATN 161Ac-PHSCN-NH2XW0H5LE42KDTXSID60180877L-Aspartamide, 1-acetyl-L-prolyl-L-histidyl-L-seryl-L-cysteinyl-RefChem:115440DTXCID00103368Alpha V Beta 1 Inhibitor ATN-161(S)-2-((R)-2-((S)-2-((S)-2-((S)-1-Acetylpyrrolidine-2-carboxamido)-3-(1H-imidazol-4-yl)propanamido)-3-hydroxypropanamido)-3-mercaptopropanamido)succinamideATN-161 free base(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]butanediamideUNII-XW0H5LE42Korb1710371
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to ATN-161
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