Boc-L-thiocitrulline-otbu
Basic information
- CAS
133565-49-8- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=S)C(=O)OC(C)(C)C- InChIKey
BZCHKHCGOVKYIY-JTQLQIEISA-N- Molecular formula
- C15H29N3O4S
- Average molar mass
- 347.5 g/mol
- Monoisotopic mass
- 347.18787759
Names & identifiers
- Preferred name
- Boc-L-thiocitrulline-otbu
- IUPAC
- tert-butyl (2S)-5-(carbamothioylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
- English name
- Boc-L-thiocitrulline-OtBu
- Molecular formula
- C15H29N3O4S
- Molecular weight
- 347.47
Names & synonyms
133565-49-8BOC-L-THIOCITRULLINE-OTBU(S)-tert-Butyl 2-((tert-butoxycarbonyl)amino)-5-thioureidopentanoateMFCD00236875tert-butyl (2S)-5-(carbamothioylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoateBoc-L-thiocitrulline tert-Butyl EsterBoc-L-thiocitrulline t-butyl esterBoc-ThioCit-OtBuC15H29N3O4SSCHEMBL3698636DTXSID20427154N-alpha-(t-Butoxycarbonyl)-L-thiocitrulline t-butyl ester
Show more names
N-α-(t-Butoxycarbonyl)-L-thiocitrulline t-butyl esterN5-(AMinothioxoMethyl)-N2-[(1,1-diMethylethoxy)carbonyl]-L-ornithine 1,1-DiMethylethyl EsterL-Ornithine, N5-(aminothioxomethyl)-N2-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl ester
AKOS015911332BS-26573FB111254H40844Boc-L-thiocitrulline-OtBu (Boc-L-Orn(CSNH2)-OtBu)N2-tert-Butyloxycarbonyl-L-thiocitrulline tert-Butyl Ester(S)-tert-Butyl2-((tert-butoxycarbonyl)amino)-5-thioureidopentanoatetert-butyl (S)-2-((tert-butoxycarbonyl)amino)-5-thioureidopentanoate
Database identifiers
- CAS
133565-49-8- PubChem CID
- 7019684
- DTXSID
DTXSID20427154
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- storage temp.
- -15 °C · -15°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesBoc-L-thiocitrulline tert-Butyl Ester is an analogue of L-thiocitrulline as inhibitor of the isoforms of nitric oxide synthase (NOS).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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