3-(Benzophenone-4-carboxamido)-2-hemimaleaimidopropanoic Acid
Catalog: |
BB055060 |
Product Name: |
3-(Benzophenone-4-carboxamido)-2-hemimaleaimidopropanoic Acid |
Synonyms: |
4-[2-[(4-Benzoylbenzoyl)amino]-1-carboxyethyl]amino]-4-oxo-2-butenoic Acid |
IUPAC Name: | (E)-4-[[2-[(4-benzoylbenzoyl)amino]-1-carboxyethyl]amino]-4-oxobut-2-enoic acid |
Description: | 3-(Benzophenone-4-carboxamido)-2-hemimaleaimidopropanoic Acid is a compound useful in organic synthesis. |
Molecular Weight: | 410.38 |
Molecular Formula: | C21H18N2O7 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)NCC(C(=O)O)NC(=O)C=CC(=O)O |
InChI: | InChI=1S/C21H18N2O7/c24-17(10-11-18(25)26)23-16(21(29)30)12-22-20(28)15-8-6-14(7-9-15)19(27)13-4-2-1-3-5-13/h1-11,16H,12H2,(H,22,28)(H,23,24)(H,25,26)(H,29,30)/b11-10+ |
InChI Key: | BGSFJBNFERXMTD-ZHACJKMWSA-N |
Melting Point: | 148-150°C |
Solubility: | Acetic Acid, DMSO |
Appearance: | White Solid |
Storage: | -20°C |
Complexity: | 690 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 410.11140092 |
Formal Charge: | 0 |
Heavy Atom Count: | 30 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 410.11140092 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 150Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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