Basic information
- CAS
144732-36-5- Standard SMILES
CC(NC(=O)C(O)C(N)CCCCN)C(=O)N1CCCC1C(=O)O- InChIKey
IAYJIYWFNDOCOF-UHFFFAOYSA-N- Molecular formula
- C15H28N4O5
- Average molar mass
- 344.41 g/mol
- Monoisotopic mass
- 344.20597001
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3,7-Diamino-2-hydroxyheptanoyl-alanyl-proline
- IUPAC
- 1-[2-[(3,7-diamino-2-hydroxyheptanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
- English name
- 3,7-diamino-2-hydroxyheptanoyl-alanyl-proline
- Molecular formula
- C15H28N4O5
- Molecular weight
- 344.41
Names & synonyms
3,7-Diamino-2-hydroxyheptanoyl-alanyl-prolineDahha-ala-pro-OH144732-36-5RefChem:918451-[2-[(3,7-diamino-2-hydroxyheptanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid(2S,3R)-3,7-Diamino-2-hydroxyheptanoyl-alanyl-prolineDTXSID20932394N-(3,7-Diamino-1,2-dihydroxyheptylidene)alanylprolineL-Proline, 1-(N-(3,7-diamino-2-hydroxy-1-oxoheptyl)-L-alanyl)-, (S-(R*,S*))-L-Proline, 1-[N-(3,7-diamino-2-hydroxy-1-oxoheptyl)-L-alanyl]-, [S-(R*,S*)]- (9CI)
Database identifiers
- CAS
144732-36-5- PubChem CID
- 126843
- DTXSID
DTXSID20932394
Properties
Computed structural properties
- XLogP
- -4.1
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- Boiling point
- 711.547 · 711.547±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.289 · 1.289±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.424 · 3.424±0.20(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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