Basic information
- Standard SMILES
CC[C@H](C)[C@H](NCC=C(C)C)C(=O)N1CCC[C@H]1c1nc(-c2nc(-c3nc(C(=O)O)co3)c(C)o2)co1- InChIKey
ZIUWXSVNWOCDAE-YSSFQJQWSA-N- Molecular formula
- C26H33N5O6
- Average molar mass
- 511.6 g/mol
- Monoisotopic mass
- 511.24308379
Names & identifiers
- Preferred name
- Deprenylmuscoride B
- IUPAC
- 2-[5-methyl-2-[2-[(2S)-1-[(2S,3S)-3-methyl-2-(3-methylbut-2-enylamino)pentanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid
Names & synonyms
deprenylmuscoride B2-(5-methyl-2-(2-((2S)-1-((2S,3S)-3-methyl-2-(3-methylbut-2-enylamino)pentanoyl)pyrrolidin-2-yl)-1,3-oxazol-4-yl)-1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylic acid2-[5-methyl-2-[2-[(2S)-1-[(2S,3S)-3-methyl-2-(3-methylbut-2-enylamino)pentanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid5'-methyl-2''-((S)-1-((3-methylbut-2-en-1-yl)-L-isoleucyl)pyrrolidin-2-yl)-(2,4':2',4''-teroxazole)-4-carboxylic acid5'-methyl-2''-((S)-1-((3-methylbut-2-en-1-yl)-L-isoleucyl)pyrrolidin-2-yl)-[2,4':2',4''-teroxazole]-4-carboxylic acidRefChem:132028DTXSID0013342302~5~-Methyl-3~2~-{(2S)-1-[N-(3-methylbut-2-en-1-yl)-L-isoleucyl]pyrrolidin-2-yl}[1~2~,2~4~:2~2~,3~4~-ter-1,3-oxazole]-1~4~-carboxylic acid
Database identifiers
- PubChem CID
- 155802451
- DTXSID
DTXSID001334230
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 838
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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