[((2S)-2-{[(benzyloxy)carbonyl]amino}pentanoyl)amino]acetic acid
Basic information
- CAS
56610-11-8- Standard SMILES
CCCC(NC(=O)OCc1ccccc1)C(=O)NCC(=O)O- InChIKey
DSGKPVVFBQQVSE-UHFFFAOYSA-N- Molecular formula
- C15H20N2O5
- Average molar mass
- 308.33 g/mol
- Monoisotopic mass
- 308.13722174
Names & identifiers
- Preferred name
- [((2S)-2-{[(benzyloxy)carbonyl]amino}pentanoyl)amino]acetic acid
- IUPAC
- 2-[2-(phenylmethoxycarbonylamino)pentanoylamino]acetic acid
- English name
- Carbobenzyloxy-L-norvalylglycine
- Molecular formula
- C15H20N2O5
- Molecular weight
- 308.33
Names & synonyms
2-[2-(phenylmethoxycarbonylamino)pentanoylamino]acetic acidNSC333470[((2S)-2-{[(benzyloxy)carbonyl]amino}pentanoyl)amino]acetic acidGlycine, N-[(phenylmethoxy)carbonyl]-L-norvalyl-DTXSID30318640AKOS024334038N-[(Benzyloxy)carbonyl]norvalylglycineNSC-333470DS-0032992-(2-phenylmethoxycarbonylaminopentanoylamino)acetic acidCarbobenzyloxy-L-norvalylglycineN-CARBOBENZYLOXY-DL-NORVALYLGLYCINE
Show more names
Glycine, N-[N-[(phenylmethoxy)carbonyl]-L-norvalyl]- (9CI)2-[(2S)-2-{[(benzyloxy)carbonyl]amino}pentanamido]acetic acid
Database identifiers
- CAS
56610-11-8- PubChem CID
- 333237
- DTXSID
DTXSID30318640
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Boiling point
- 584 · 584.0±45.0 °C(Predicted)
- Density
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- pka
- 3.42 · 3.42±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
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Compound notes
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