About 2-[[5-chloro-2-[(5-cyano-3-pyridinyl)methoxy]-4-[[3-[3-[1-[2-(dimethylamino)ethyl]-2-oxoquinoxalin-6-yl]-2-methylphenyl]-2-methylphenyl]methoxy]phenyl]methylamino]-3-hydroxy-2-methylpropanoic acid
2-[[5-chloro-2-[(5-cyano-3-pyridinyl)methoxy]-4-[[3-[3-[1-[2-(dimethylamino)ethyl]-2-oxoquinoxalin-6-yl]-2-methylphenyl]-2-methylphenyl]methoxy]phenyl]methylamino]-3-hydroxy-2-methylpropanoic acid (PubChem CID 166802627) has the molecular formula C45H45ClN6O6
and a molecular weight of 801.34 g/mol. Its IUPAC name is 2-[[5-chloro-2-[(5-cyano-3-pyridinyl)methoxy]-4-[[3-[3-[1-[2-(dimethylamino)ethyl]-2-oxoquinoxalin-6-yl]-2-methylphenyl]-2-methylphenyl]methoxy]phenyl]methylamino]-3-hydroxy-2-methylpropanoic acid.
Analyze 2-[[5-chloro-2-[(5-cyano-3-pyridinyl)methoxy]-4-[[3-[3-[1-[2-(dimethylamino)ethyl]-2-oxoquinoxalin-6-yl]-2-methylphenyl]-2-methylphenyl]methoxy]phenyl]methylamino]-3-hydroxy-2-methylpropanoic acid with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[[5-chloro-2-[(5-cyano-3-pyridinyl)methoxy]-4-[[3-[3-[1-[2-(dimethylamino)ethyl]-2-oxoquinoxalin-6-yl]-2-methylphenyl]-2-methylphenyl]methoxy]phenyl]methylamino]-3-hydroxy-2-methylpropanoic acid?
The IUPAC name of 2-[[5-chloro-2-[(5-cyano-3-pyridinyl)methoxy]-4-[[3-[3-[1-[2-(dimethylamino)ethyl]-2-oxoquinoxalin-6-yl]-2-methylphenyl]-2-methylphenyl]methoxy]phenyl]methylamino]-3-hydroxy-2-methylpropanoic acid (CID 166802627) is 2-[[5-chloro-2-[(5-cyano-3-pyridinyl)methoxy]-4-[[3-[3-[1-[2-(dimethylamino)ethyl]-2-oxoquinoxalin-6-yl]-2-methylphenyl]-2-methylphenyl]methoxy]phenyl]methylamino]-3-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[[5-chloro-2-[(5-cyano-3-pyridinyl)methoxy]-4-[[3-[3-[1-[2-(dimethylamino)ethyl]-2-oxoquinoxalin-6-yl]-2-methylphenyl]-2-methylphenyl]methoxy]phenyl]methylamino]-3-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 2-[[5-chloro-2-[(5-cyano-3-pyridinyl)methoxy]-4-[[3-[3-[1-[2-(dimethylamino)ethyl]-2-oxoquinoxalin-6-yl]-2-methylphenyl]-2-methylphenyl]methoxy]phenyl]methylamino]-3-hydroxy-2-methylpropanoic acid is Cc1c(COc2cc(OCc3cncc(C#N)c3)c(CNC(C)(CO)C(=O)O)cc2Cl)cccc1-c1cccc(-c2ccc3c(c2)ncc(=O)n3CCN(C)C)c1C.
What is the InChIKey of 2-[[5-chloro-2-[(5-cyano-3-pyridinyl)methoxy]-4-[[3-[3-[1-[2-(dimethylamino)ethyl]-2-oxoquinoxalin-6-yl]-2-methylphenyl]-2-methylphenyl]methoxy]phenyl]methylamino]-3-hydroxy-2-methylpropanoic acid?
The InChIKey is ULSDPENEOURKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H45ClN6O6/c1-28-33(26-58-42-19-41(57-25-31-16-30(20-47)21-48-22-31)34(17-38(42)46)23-50-45(3,27-53)44(55)56)8-6-10-36(28)37-11-7-9-35(29(37)2)32-12-13-40-39(18-32)49-24-43(54)52(40)15-14-51(4)5/h6-13,16-19,21-22,24,50,53H,14-15,23,25-27H2,1-5H3,(H,55,56).
What are the key properties of 2-[[5-chloro-2-[(5-cyano-3-pyridinyl)methoxy]-4-[[3-[3-[1-[2-(dimethylamino)ethyl]-2-oxoquinoxalin-6-yl]-2-methylphenyl]-2-methylphenyl]methoxy]phenyl]methylamino]-3-hydroxy-2-methylpropanoic acid?
2-[[5-chloro-2-[(5-cyano-3-pyridinyl)methoxy]-4-[[3-[3-[1-[2-(dimethylamino)ethyl]-2-oxoquinoxalin-6-yl]-2-methylphenyl]-2-methylphenyl]methoxy]phenyl]methylamino]-3-hydroxy-2-methylpropanoic acid has a molecular weight of 801.34 g/mol, XLogP of 6.91, 16 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-[(5-cyano-3-pyridinyl)methoxy]-4-[[3-[3-[1-[2-(dimethylamino)ethyl]-2-oxoquinoxalin-6-yl]-2-methylphenyl]-2-methylphenyl]methoxy]phenyl]methylamino]-3-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 166802627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).