Mk-3577
3-[[4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]benzoyl]amino]propanoic acid
Molecular Identity
Mk-3577
3-[[4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]benzoyl]amino]propanoic acid
PubChem CID: 46240797
2D Structure
Properties
C30H30ClFN2O3
Molecular Formula
521.00
Molecular Weight
g/mol
520.1929
Exact Mass
Da
7
XLogP
Above Lipinski threshold
82.2
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
753
Complexity
SMILES
Canonical SMILES
SMILES: CCCC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)C(C2=CC=C(C=C2)Cl)C3=CNC4=C3C=C(C=C4F)CIsomeric SMILES
SMILES: CCC[C@H](C1=CC=C(C=C1)C(=O)NCCC(=O)O)[C@H](C2=CC=C(C=C2)Cl)C3=CNC4=C3C=C(C=C4F)CSynonyms(20)
MK-35771019112-29-803TW1410NLUNII-03TW1410NLN-(4-((1S)-1-((R)-(4-Chlorophenyl)(7-fluoro-5-methyl-1H-indol-3-yl)methyl)butyl)benzoyl)-beta-alaninebeta-Alanine, N-(4-((1S)-1-((R)-(4-chlorophenyl)(7-fluoro-5-methyl-1H-indol-3-yl)methyl)butyl)benzoyl)-N-(4-((1S)-1-((R)-(4-Chlorophenyl)(7-fluoro-5-methyl-1H-indol-3-yl)methyl)butyl)benzoyl)-beta-alanine, (-)-.BETA.-ALANINE, N-(4-((1S)-1-((R)-(4-CHLOROPHENYL)(7-FLUORO-5-METHYL-1H-INDOL-3-YL)METHYL)BUTYL)BENZOYL)-beta-Alanine, N-[4-[(1S)-1-[(R)-(4-chlorophenyl)(7-fluoro-5-methyl-1H-indol-3-yl)methyl]butyl]benzoyl]-N-(4-((1S)-1-((R)-(4-CHLOROPHENYL)(7-FLUORO-5-METHYL-1H-INDOL-3-YL)METHYL)BUTYL)BENZOYL)-.BETA.-ALANINEN-(4-((1S)-1-((R)-(4-CHLOROPHENYL)(7-FLUORO-5-METHYL-1H-INDOL-3-YL)METHYL)BUTYL)BENZOYL)-.BETA.-ALANINE, (-)-3-((4-((1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl)phenyl)formamido)propanoic acid3-({4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]phenyl}formamido)propanoic acidRefChem:159201CHEMBL1933350
Data from PubChem (NCBI)
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