(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentanoic acid

HCID 333257

Notes Reactions

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Basic information

CAS: 2480-93-5
Standard SMILES: CC(C)(C)OC(=O)NC(CCCNC(=O)OCc1ccccc1)C(=O)O
InChIKey: QYYCZJUFHDLLOJ-AWEZNQCLSA-N
Molecular formula: C18H26N2O6
Average molar mass: 366.4 g/mol

Names & identifiers

Preferred name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentanoic acid
IUPAC: 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

5-{[(benzyloxy)carbonyl]amino}-2-{[(tert-butoxy)carbonyl]amino}pentanoic acidn-tert-butoxycarbonyl-n'-benzyloxycarbonyl-l-ornithine359781-89-8(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentanoic acidNSC333494Na-Boc-Nd-Z-L-ornithinNa-Boc-Nd-Z-D-ornithineN|A-Boc-N|A-Z-D-ornithineN|A-Z-N|A-Boc-D-ornithineSCHEMBL1374918Boc-Nd-benzyloxycarbonyl-L-ornithine5-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)pentanoic acid

Show more names

BOC-ORN(Z)-OH(S)-5-(((Benzyloxy)carbonyl)aMino)-2-((tert-butoxycarbonyl)aMino)pentanoic acidBOC-L-ORN(Z)-OHNα-(tert-Butoxycarbonyl)-Nδ-carbobenzoxy-L-ornithineZ-Orn(Boc)Boc-Orn(Z)BOC-ORN(CBZ)-OHBoc-L-Orn(Cbz)-OHBOC-L-ORN(BZL)-OH

NSC-3334942-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentanoic acidSY012546N-alpha-t-BOC-N-delta-CBZ-L-ORNITHINE

Database identifiers

CAS: 2480-93-5
PubChem CID: 333257

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 114 Å²
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

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

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

(2S)-5-amino-2-(tert-butoxycarbonylamino)-pentanoic acid tert-butyl ester (S)-Benzyl tert-butyl (5-oxohexane-1,4-diyl)dicarbamate

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]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

江苏生康迈翔科技有限公司18217475093 · [email protected]

Related reactions

3 records

New reaction record

HRID 667456As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1215290As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1540600As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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