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Boc-Arg (Mbs) -OH

CAT: 0024-sc-293701ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-293701ASize:5 g
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CAS Number
58810-09-6

Chemical Information

Boc-arg(mbs)-OH
CAS Number58810-09-6
PubChem CID11037618
IUPAC Name(2S)-5-[[amino-[(4-methoxyphenyl)sulfonylamino]methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Molecular FormulaC18H28N4O7S
Molecular Weight444.5
XLogP1.2
Topological Polar Surface Area178
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count30
Formal Charge0
Complexity705
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCN=C(N)NS(=O)(=O)C1=CC=C(C=C1)OC)C(=O)O
InChI
InChI=1S/C18H28N4O7S/c1-18(2,3)29-17(25)21-14(15(23)24)6-5-11-20-16(19)22-30(26,27)13-9-7-12(28-4)8-10-13/h7-10,14H,5-6,11H2,1-4H3,(H,21,25)(H,23,24)(H3,19,20,22)/t14-/m0/s1
InChIKey
AYUPPTBECADHBL-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of Boc-arg(mbs)-OH
CAS: 58810-09-6
CID: 11037618
Formula: C18H28N4O7S
MW: 444.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.5
XLogP31.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass444.16787042
Monoisotopic Mass444.16787042
Topological Polar Surface Area178 Ų
Heavy Atom Count30
Formal Charge0
Complexity705
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
FM111554-01Mbs-D-Arg-OH
E-2765.0001H-Arg(Mbs)-OH
C-3345.0025Z-Arg(Mbs)-OH · DCHA
5-07145Z-Arg(Mbs)-OH·DCHA
4011878.0001Boc-Arg (Boc) ₂-OH
4018735.01Boc-Arg-Val-Arg-Arg-AMC
MBS406412-01Boc-Arg-Val-Arg-Arg-MCA
4017086.0100Boc-Gly-Arg-Arg-AMC
I-1655.0100Boc-Gln-Arg-Arg-AMC
GL3169-5mgBoc-Leu-Arg-Arg-AMC

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