Basic information
- CAS
133683-32-6- Standard SMILES
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(N)=O- InChIKey
VGOMTEQGVURNJE-LVLNSQHKSA-N- Molecular formula
- C24H43N5O8
- Average molar mass
- 529.6 g/mol
- Monoisotopic mass
- 529.31116335
Names & identifiers
- Preferred name
- L-Aspartamide, N2-acetyl-L-glutaminyl-N1-(4-((1-(aminocarbonyl)-2-methylpropyl)amino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl)-, (1S-(1R*,2R*,4(R*)))-
- IUPAC
- (4S)-4-acetamido-5-[[(2S)-1-[[(3S,4S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Names & synonyms
Ac-Glu-Asn-Sta-Ile-NH2133683-32-6L-Aspartamide, N2-acetyl-L-glutaminyl-N1-(4-((1-(aminocarbonyl)-2-methylpropyl)amino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl)-, (1S-(1R*,2R*,4(R*)))-L-Aspartamide, N2-acetyl-L-glutaminyl-N1-[4-[[1-(aminocarbonyl)-2-methylpropyl]amino]-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl]-, [1S-[1R*,2R*,4(R*)]]-DTXSID80158316(4S)-4-acetamido-5-[[(1S)-2-[[(1S,2S)-4-[[(1S,2S)-1-carbamoyl-2-methyl-butyl]amino]-2-hydroxy-1-isobutyl-4-oxo-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acidN-Acetyl-L-alpha-glutamyl-N-[(3S,4S)-1-{[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino}-3-hydroxy-6-methyl-1-oxoheptan-4-yl]-L-alaninamide
Database identifiers
- CAS
133683-32-6- PubChem CID
- 5479217
- DTXSID
DTXSID80158316
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 217 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 819
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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