Basic information
- CAS
2480-93-5- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)O- InChIKey
QYYCZJUFHDLLOJ-AWEZNQCLSA-N- Molecular formula
- C18H26N2O6
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.17908655
Names & identifiers
- Preferred name
- (2S)-5-{[(benzyloxy)carbonyl]amino}-2-{[(tert-butoxy)carbonyl]amino}pentanoic acid
- IUPAC
- (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentanoic acid
- English name
- N-tert-Butoxycarbonyl-N'-benzyloxycarbonyl-L-ornithine
- Molecular formula
- C18H26N2O6
- Molecular weight
- 366.41
Names & synonyms
(2S)-5-{[(benzyloxy)carbonyl]amino}-2-{[(tert-butoxy)carbonyl]amino}pentanoic acidN2-((1,1-Dimethylethoxy)carbonyl)-N5-((phenylmethoxy)carbonyl)-L-ornithineN2-[(1,1-Dimethylethoxy)carbonyl]-N5-[(phenylmethoxy)carbonyl]-L-ornithine(2S)-5-(((benzyloxy)carbonyl)amino)-2-(((tert-butoxy)carbonyl)amino)pentanoic acidRefChem:398645691-656-2Boc-Orn(Z)-OH2480-93-5(S)-5-(((Benzyloxy)carbonyl)amino)-2-((tert-butoxycarbonyl)amino)pentanoic acidBoc-Orn(Cbz)-OHMFCD00038259L-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[(phenylmethoxy)carbonyl]-
Show more names
BOC-L-ORN(Z)-OHNα-(tert-Butoxycarbonyl)-Nδ-carbobenzoxy-L-ornithineNsc333494Z-Orn(Boc)Boc-Orn(Z)Boc-L-Orn(Cbz)-OHBOC-L-ORN(BZL)-OH
AKOS015924218NSC 333494(S)-5-[(Benzyloxycarbonyl)amino]-2-(tert-butoxycarbonylamino)pentanoic acidM03344n-tert-butoxycarbonyl-n'-benzyloxycarbonyl-l-ornithineN5-[(benzyloxy)carbonyl]-N-(tert-butoxycarbonyl)-L-ornithine5-Benzyloxycarbonylamino-2(S)-tert-butoxycarbonylaminopentanoic acid(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentanoic acid
Database identifiers
- CAS
2480-93-5- PubChem CID
- 7269338
- DTXSID
DTXSID10428478- EC Number
- 691-656-2
- Nikkaji
- J692.650I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 469
Physicochemical properties
- Melting point
- 92 to · 92.0 to 95.0 °C
- Boiling point
- 579.1 · 579.1±50.0 °C(Predicted)
- Density
- 1.193 · 1.193±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- almost transparency in Methanol
- form
- powder to crystal
- pka
- 3.96 · 3.96±0.21(Predicted)
- color
- White to Almost white
- BRN
- 2783761 · 2783761
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C18H26N2O6/c1-18(2,3)26-17(24)20-14(15(21)22)10-7-11-19-16(23)25-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)/t14-/m0/s1
- InChIKey
- QYYCZJUFHDLLOJ-AWEZNQCLSA-N
- SMILES
- C(O)(=O)[C@H](CCCNC(OCC1=CC=CC=C1)=O)NC(OC(C)(C)C)=O
- CAS DataBase Reference
- 2480 · 2480-93-5(CAS DataBase Reference)
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- HS Code
- 2924 · 2924 29 70
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2924 29 70
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Usespeptide synthesis
Upstream & downstream products
Downstream products
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
28 records
Compound notes
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