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Boc-Gly-Arg-OH

CAT: 0926-FB111211-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0926-FB111211-01Size:50 g
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CAS Number
39621-72-2
MDL Number
MFCD00237553
Smiles
CC (C) (C) OC (=O) NCC (=O) N[C@@H] (CCCN=C (N) N) C (=O) O
Molecular Formula
C13H25N5O5
Molecular Weight
331.37 g/mol
Controlled
No

Chemical Information

Boc-gly-arg-OH
CAS Number39621-72-2
PubChem CID40496723
IUPAC Name(2S)-5-(diaminomethylideneamino)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoic acid
Molecular FormulaC13H25N5O5
Molecular Weight331.37
XLogP-0.9
Topological Polar Surface Area169
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count23
Formal Charge0
Complexity454
SMILES
CC(C)(C)OC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChI
InChI=1S/C13H25N5O5/c1-13(2,3)23-12(22)17-7-9(19)18-8(10(20)21)5-4-6-16-11(14)15/h8H,4-7H2,1-3H3,(H,17,22)(H,18,19)(H,20,21)(H4,14,15,16)/t8-/m0/s1
InChIKey
MJKTURRULDXYQX-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of Boc-gly-arg-OH
CAS: 39621-72-2
CID: 40496723
Formula: C13H25N5O5
MW: 331.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.37
XLogP3-0.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass331.18556891
Monoisotopic Mass331.18556891
Topological Polar Surface Area169 Ų
Heavy Atom Count23
Formal Charge0
Complexity454
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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Alternative Products

CatalogName
A-1745.0005Boc-Gly-Arg-OH
A-1750.0025Boc-Gly-Gly-OH
3142-vBoc-Gly-Arg-Arg-MCA
4017086.0100Boc-Gly-Arg-Arg-AMC
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4011878.0001Boc-Arg (Boc) ₂-OH
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