CID 51340463
Basic information
- CAS
1423017-89-3- Standard SMILES
C=CCOC(=O)NC[C@@H](NC(C)=C1C(=O)CC(C)(C)CC1=O)C(=O)O- InChIKey
CVSBVPHKIWSYOZ-LLVKDONJSA-N- Molecular formula
- C17H24N2O6
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.16343649
Names & identifiers
- Preferred name
- CID 51340463
- IUPAC
- (2R)-2-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]-3-(prop-2-enoxycarbonylamino)propanoic acid
- English name
- DDE-D-DAP(ALLOC)-OH
- Molecular formula
- C17H24N2O6
- Molecular weight
- 352.38
Names & synonyms
DDE-D-DAP(ALOC)-OHDDE-D-DAP(ALLOC)-OHDde-D-Dap(Aloc)-OH·DCHAN-alpha-(4-4-Dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl-N-beta-allyloxycarbonyl-D-2,3-diaminopropionic acidN-ALPHA-(4,4-DIMETHYL-2,6-DIOXOCYCLOHEX-1-YLIDENE)ETHYL-N-BETA-ALLYLOXYCARBONYL-D-2,3-DIAMINOPROPIONIC ACIDN-ALPHA-(4,4-DIMETHYL-2,6-DIOXOCYCLOHEX-1-YLIDENE)ETHYL-N-GAMMA-ALLYLOXYCARBONYL-D-2,3-DIAMINOPROPIONIC ACID
Database identifiers
- CAS
1423017-89-3- PubChem CID
- 51340463
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 599
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Compound notes
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