Basic information
- CAS
184357-55-9- Standard SMILES
CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCC1CCCCC1)C(N)=O- InChIKey
MYZLOAXXVDGNMQ-FSSWDIPSSA-N- Molecular formula
- C26H39N4O10P
- Average molar mass
- 598.6 g/mol
- Monoisotopic mass
- 598.24038045
Names & identifiers
- Preferred name
- Cyclohexanebutanamide, N-acetyl-O-phosphono-L-tyrosyl-L-alpha-glutamyl-alpha-amino-, (alphaR)-
- IUPAC
- (4S)-4-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-[[(2R)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Names & synonyms
184357-55-9RefChem:335240Cyclohexanebutanamide, N-acetyl-O-phosphono-L-tyrosyl-L-alpha-glutamyl-alpha-amino-, (alphaR)-[[O-PHOSPHONO-N-ACETYL-TYROSINYL]-GLUTAMYL-3[CYCLOHEXYLMETHYL]ALANINYL]-AMINECHEMBL2736281bkm1C5DTXSID401131109BDBM50060734Q27451901N-acetyl-O-phosphono-L-tyrosyl-N-[(1R)-1-carbamoyl-3-cyclohexylpropyl]-L-alpha-glutamine(S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)-propionylamino]-4-((R)-1-carbamoyl-3-cyclohexyl-propylcarbamoyl)-butyric acid
Show more names
4-[2-Acetylamino-3-(4-phosphonooxy-phenyl)-propionylamino]-4-(1-carbamoyl-3-cyclohexyl-propylcarbamoyl)-butyric acidCyclohexanebutanamide, N-acetyl-O-phosphono-L-tyrosyl-L-I+/--glutamyl-I+/--amino-, (I+/-R)-N-Acetyl-O-phosphono-L-tyrosyl-N-[(2R)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]-L-alpha-glutamine
Database identifiers
- CAS
184357-55-9- PubChem CID
- 444589
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 234 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 16
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 960
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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