(R)-2-(((Benzyloxy)carbonyl)amino)-6-ureidohexanoic acid
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Basic information
- CAS
218938-56-8- Standard SMILES
NC(=O)NCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O- InChIKey
GDAQVXISDUMUJG-GFCCVEGCSA-N- Molecular formula
- C15H21N3O5
- Average molar mass
- 323.34 g/mol
- Monoisotopic mass
- 323.14812078
Names & identifiers
- Preferred name
- (R)-2-(((Benzyloxy)carbonyl)amino)-6-ureidohexanoic acid
- IUPAC
- (2R)-6-(carbamoylamino)-2-(phenylmethoxycarbonylamino)hexanoic acid
- English name
- Z-D-HOMOCIT-OH
- Molecular formula
- C15H21N3O5
- Molecular weight
- 323.34
Names & synonyms
218938-56-8(R)-2-(((Benzyloxy)carbonyl)amino)-6-ureidohexanoic acid(2R)-6-(carbamoylamino)-2-(phenylmethoxycarbonylamino)hexanoic acidN2-((benzyloxy)carbonyl)-N6-carbamoyl-D-lysine(R)-2-(((Benzyloxy)carbonyl)amino)-6-ureidohexanoicacidDTXSID80427079(2R)-2-{[(BENZYLOXY)CARBONYL]AMINO}-6-(CARBAMOYLAMINO)HEXANOIC ACIDAKOS016003205N~2~-[(Benzyloxy)carbonyl]-N~6~-carbamoyl-D-lysineZ-D-HOCIT-OHCbz-D-Hcit-OHZ-D-HOMOCIT-OH
Show more names
Z-D-HOMOCITRULLINECbz-D-HomocitrullineZ-D-LYS(CARBAMOYL)-OHZ-N-EPSILON-CARBAMOYL-D-LYSINEN-α-Carbobenzoxy-D-homocitrullineN-ALPHA-CARBOBENZOXY-D-HOMOCITRULLINEN-ALPHA-CARBOBENZOXY-N-EPSILON-CARBAMOYL-D-LYSINE
Database identifiers
- CAS
218938-56-8- PubChem CID
- 7019154
- DTXSID
DTXSID80427079
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Boiling point
- 574.7 · 574.7±50.0 °C(Predicted)
- Density
- 1.269 · 1.269±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 3.98 · 3.98±0.21(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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