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Boc-L-citrulline

CAT: 0572-TRC-B646265-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B646265-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
45234-13-7
Synonyms
N5-(Aminocarbonyl)-N2-[(1,1-dimethylethoxy)carbonyl]-L-ornithine; N-(tert-Butoxycarbonyl)citrulline
Hazard Statement
No Data Available
Smiles
O=C(N)NCCC[C@@H](C(O)=O)NC(OC(C)(C)C)=O
Molecular Formula
C11H21N3O5
Molecular Weight
275.3
InChI
InChI=1S/C11H21N3O5/c1-11(2,3)19-10(18)14-7(8(15)16)5-4-6-13-9(12)17/h7H,4-6H2,1-3H3,(H,14,18)(H,15,16)(H3,12,13,17)/t7-/m0/s1
Additionnal Information
IUPAC name: (S)-2-((tert-butoxycarbonyl)amino)-5-ureidopentanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Boc-Cit-OH

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CAS Number45234-13-7
PubChem CID7021414
IUPAC Name(2S)-5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Molecular FormulaC11H21N3O5
Molecular Weight275.30
XLogP0
Topological Polar Surface Area131
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count19
Formal Charge0
Complexity338
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)N)C(=O)O
InChI
InChI=1S/C11H21N3O5/c1-11(2,3)19-10(18)14-7(8(15)16)5-4-6-13-9(12)17/h7H,4-6H2,1-3H3,(H,14,18)(H,15,16)(H3,12,13,17)/t7-/m0/s1
InChIKey
CMJCWQISQGNHHI-ZETCQYMHSA-N
Chemical Structure
2D Structure
2D structure of Boc-Cit-OH
CAS: 45234-13-7
CID: 7021414
Formula: C11H21N3O5
MW: 275.30
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight275.30
XLogP30
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass275.14812078
Monoisotopic Mass275.14812078
Topological Polar Surface Area131 Ų
Heavy Atom Count19
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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