2-(2-{[(Benzyloxy)carbonyl]amino}propanamido)pentanoic acid
Basic information
- CAS
18921-54-5- Standard SMILES
CCCC(NC(=O)C(C)NC(=O)OCc1ccccc1)C(=O)O- InChIKey
LDWKLEOJLPWEIE-UHFFFAOYSA-N- Molecular formula
- C16H22N2O5
- Average molar mass
- 322.36 g/mol
- Monoisotopic mass
- 322.15287181
Overview
See also: Carbobenzyloxy-L-alanyl-L-norvaline (annotation moved to).
Names & identifiers
- Preferred name
- 2-(2-{[(Benzyloxy)carbonyl]amino}propanamido)pentanoic acid
- IUPAC
- 2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid
- English name
- Z-Ala-Nva-OH
- Molecular formula
- C16H22N2O5
- Molecular weight
- 322.36
Names & synonyms
18921-54-52-(2-{[(benzyloxy)carbonyl]amino}propanamido)pentanoic acid2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acidNSC333443DTXSID90318626N-[(Benzyloxy)carbonyl]alanylnorvalineNSC-333443Z-Ala-Nva-OHCARBOBENZYLOXY-L-ALANYL-L-NORVALINEL-Norvaline, N-[N-[(phenylmethoxy)carbonyl]-L-alanyl]- (9CI)
Database identifiers
- CAS
18921-54-5- PubChem CID
- 333209
- DTXSID
DTXSID90318626
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Melting point
- 145 °C · 145 °C
- Boiling point
- 582 · 582.0±45.0 °C(Predicted)
- Density
- 1.203 · 1.203±0.06 g/cm3(Predicted)
- pka
- 3.51 · 3.51±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…