990207 Purity
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Specification
The molecular formula of the compound is C67H104N20O19.
The molecular weight of the compound is 1493.7 g/mol.
Some synonyms of the compound are 99026-78-5 [Ala113]-MBP (104-118) GKGRGLSLSA FSWGA L-Alanine, glycyl-L-lysylglycyl-L-arginylglycyl-L-leucyl-L-seryl-L-leucyl-L-seryl-L-alanyl-L-phenylalanyl-L-seryl-L-tryptophylglycyl- [Ala113]-Myelin Basic Protein (104-118).
The IUPAC Name of the compound is very long and complex.
The InChI of the compound is InChI=1S/C67H104N20O19/c1-35(2)23-45(81-55(94)31-75-58(97)44(20-14-22-72-67(70)71)80-54(93)30...
The InChIKey of the compound is FBVMKAAYUXGGSU-NBRSAOMZSA-N.
The canonical SMILES of the compound is CC(C)CC(C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CO)C(=O)NC(C...
The XLogP3-AA value of the compound is -6.8.
The compound has 23 hydrogen bond donor counts.
The topological polar surface area of the compound is 638 Ų.
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