About tert-butyl N-[[4-[[(2S)-2-amino-3-[4-[2-methyl-6-[(1-methylpiperidin-4-yl)carbamoyl]-3-pyridinyl]phenyl]propanoyl]-[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclohexyl]methyl]carbamate;2,2,2-trifluoroacetic acid
tert-butyl N-[[4-[[(2S)-2-amino-3-[4-[2-methyl-6-[(1-methylpiperidin-4-yl)carbamoyl]-3-pyridinyl]phenyl]propanoyl]-[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclohexyl]methyl]carbamate;2,2,2-trifluoroacetic acid (PubChem CID 122441549) has the molecular formula C44H55F3N10O7
and a molecular weight of 892.98 g/mol. Its IUPAC name is tert-butyl N-[[4-[[(2S)-2-amino-3-[4-[2-methyl-6-[(1-methylpiperidin-4-yl)carbamoyl]-3-pyridinyl]phenyl]propanoyl]-[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclohexyl]methyl]carbamate;2,2,2-trifluoroacetic acid.
Analyze tert-butyl N-[[4-[[(2S)-2-amino-3-[4-[2-methyl-6-[(1-methylpiperidin-4-yl)carbamoyl]-3-pyridinyl]phenyl]propanoyl]-[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclohexyl]methyl]carbamate;2,2,2-trifluoroacetic acid with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of tert-butyl N-[[4-[[(2S)-2-amino-3-[4-[2-methyl-6-[(1-methylpiperidin-4-yl)carbamoyl]-3-pyridinyl]phenyl]propanoyl]-[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclohexyl]methyl]carbamate;2,2,2-trifluoroacetic acid?
The IUPAC name of tert-butyl N-[[4-[[(2S)-2-amino-3-[4-[2-methyl-6-[(1-methylpiperidin-4-yl)carbamoyl]-3-pyridinyl]phenyl]propanoyl]-[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclohexyl]methyl]carbamate;2,2,2-trifluoroacetic acid (CID 122441549) is tert-butyl N-[[4-[[(2S)-2-amino-3-[4-[2-methyl-6-[(1-methylpiperidin-4-yl)carbamoyl]-3-pyridinyl]phenyl]propanoyl]-[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclohexyl]methyl]carbamate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for tert-butyl N-[[4-[[(2S)-2-amino-3-[4-[2-methyl-6-[(1-methylpiperidin-4-yl)carbamoyl]-3-pyridinyl]phenyl]propanoyl]-[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclohexyl]methyl]carbamate;2,2,2-trifluoroacetic acid?
The canonical SMILES for tert-butyl N-[[4-[[(2S)-2-amino-3-[4-[2-methyl-6-[(1-methylpiperidin-4-yl)carbamoyl]-3-pyridinyl]phenyl]propanoyl]-[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclohexyl]methyl]carbamate;2,2,2-trifluoroacetic acid is Cc1nc(C(=O)NC2CCN(C)CC2)ccc1-c1ccc(C[C@H](N)C(=O)N(C(=O)C2CCC(CNC(=O)OC(C)(C)C)CC2)c2ccc(-c3nn[nH]n3)cc2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of tert-butyl N-[[4-[[(2S)-2-amino-3-[4-[2-methyl-6-[(1-methylpiperidin-4-yl)carbamoyl]-3-pyridinyl]phenyl]propanoyl]-[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclohexyl]methyl]carbamate;2,2,2-trifluoroacetic acid?
The InChIKey is QSMXFXCXWQDIDI-GWMTZDKYSA-N. The full InChI is InChI=1S/C42H54N10O5.C2HF3O2/c1-26-34(18-19-36(45-26)38(53)46-32-20-22-51(5)23-21-32)29-10-6-27(7-11-29)24-35(43)40(55)52(33-16-14-30(15-17-33)37-47-49-50-48-37)39(54)31-12-8-28(9-13-31)25-44-41(56)57-42(2,3)4;3-2(4,5)1(6)7/h6-7,10-11,14-19,28,31-32,35H,8-9,12-13,20-25,43H2,1-5H3,(H,44,56)(H,46,53)(H,47,48,49,50);(H,6,7)/t28?,31?,35-;/m0./s1.
What are the key properties of tert-butyl N-[[4-[[(2S)-2-amino-3-[4-[2-methyl-6-[(1-methylpiperidin-4-yl)carbamoyl]-3-pyridinyl]phenyl]propanoyl]-[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclohexyl]methyl]carbamate;2,2,2-trifluoroacetic acid?
tert-butyl N-[[4-[[(2S)-2-amino-3-[4-[2-methyl-6-[(1-methylpiperidin-4-yl)carbamoyl]-3-pyridinyl]phenyl]propanoyl]-[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclohexyl]methyl]carbamate;2,2,2-trifluoroacetic acid has a molecular weight of 892.98 g/mol, XLogP of 5.46, 11 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[[(2S)-2-amino-3-[4-[2-methyl-6-[(1-methylpiperidin-4-yl)carbamoyl]-3-pyridinyl]phenyl]propanoyl]-[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclohexyl]methyl]carbamate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 122441549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).