About 4-[2-[4-[[2-[[3-[[2-[(4-carboxyphenyl)methyl-methylamino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]phenyl]ethyl]benzoic acid;methane
4-[2-[4-[[2-[[3-[[2-[(4-carboxyphenyl)methyl-methylamino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]phenyl]ethyl]benzoic acid;methane (PubChem CID 160777794) has the molecular formula C49H58N4O6S
and a molecular weight of 831.09 g/mol. Its IUPAC name is 4-[2-[4-[[2-[[3-[[2-[(4-carboxyphenyl)methyl-methylamino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]phenyl]ethyl]benzoic acid;methane.
Analyze 4-[2-[4-[[2-[[3-[[2-[(4-carboxyphenyl)methyl-methylamino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]phenyl]ethyl]benzoic acid;methane 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 4-[2-[4-[[2-[[3-[[2-[(4-carboxyphenyl)methyl-methylamino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]phenyl]ethyl]benzoic acid;methane?
The IUPAC name of 4-[2-[4-[[2-[[3-[[2-[(4-carboxyphenyl)methyl-methylamino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]phenyl]ethyl]benzoic acid;methane (CID 160777794) is 4-[2-[4-[[2-[[3-[[2-[(4-carboxyphenyl)methyl-methylamino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]phenyl]ethyl]benzoic acid;methane.
What is the SMILES notation for 4-[2-[4-[[2-[[3-[[2-[(4-carboxyphenyl)methyl-methylamino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]phenyl]ethyl]benzoic acid;methane?
The canonical SMILES for 4-[2-[4-[[2-[[3-[[2-[(4-carboxyphenyl)methyl-methylamino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]phenyl]ethyl]benzoic acid;methane is C.CCC(CC)N(CCN(C)Cc1ccc(C(=O)O)cc1)Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(CCc4ccc(C(=O)O)cc4)cc2)CCCC3)c1.
What is the InChIKey of 4-[2-[4-[[2-[[3-[[2-[(4-carboxyphenyl)methyl-methylamino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]phenyl]ethyl]benzoic acid;methane?
The InChIKey is SAEGPFLGKBJCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H54N4O6S.CH4/c1-4-40(5-2)52(28-27-51(3)30-34-17-23-37(24-18-34)48(57)58)31-35-9-8-10-38(29-35)44(53)50-46-43(41-11-6-7-12-42(41)59-46)45(54)49-39-25-19-33(20-26-39)14-13-32-15-21-36(22-16-32)47(55)56;/h8-10,15-26,29,40H,4-7,11-14,27-28,30-31H2,1-3H3,(H,49,54)(H,50,53)(H,55,56)(H,57,58);1H4.
What are the key properties of 4-[2-[4-[[2-[[3-[[2-[(4-carboxyphenyl)methyl-methylamino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]phenyl]ethyl]benzoic acid;methane?
4-[2-[4-[[2-[[3-[[2-[(4-carboxyphenyl)methyl-methylamino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]phenyl]ethyl]benzoic acid;methane has a molecular weight of 831.09 g/mol, XLogP of 10.07, 19 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[[2-[[3-[[2-[(4-carboxyphenyl)methyl-methylamino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]phenyl]ethyl]benzoic acid;methane is sourced from PubChem (CID 160777794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).