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Boc-Arg (Tos) -OH

CAT: 0926-BLR-2125-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-BLR-2125-01Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13836-37-8
Smiles
CC1=CC=C (C=C1) S (=O) (=O) NC (=NCCCC (C (=O) O) NC (=O) OC (C) (C) C) N
Molecular Formula
C18H28N4O5S
Molecular Weight
428.5 g/mol
Controlled
No

Chemical Information

L-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino[[(4-methylphenyl)sulfonyl]amino]methyl]-
CAS Number13836-37-8
PubChem CID83767
IUPAC Name(2S)-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Molecular FormulaC18H28N4O6S
Molecular Weight428.5
XLogP1.6
Topological Polar Surface Area169
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count29
Formal Charge0
Complexity688
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)N
InChI
InChI=1S/C18H28N4O6S/c1-12-7-9-13(10-8-12)29(26,27)22-16(19)20-11-5-6-14(15(23)24)21-17(25)28-18(2,3)4/h7-10,14H,5-6,11H2,1-4H3,(H,21,25)(H,23,24)(H3,19,20,22)/t14-/m0/s1
InChIKey
WBIIPXYJAMICNU-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of L-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino[[(4-methylphenyl)sulfonyl]amino]methyl]-
CAS: 13836-37-8
CID: 83767
Formula: C18H28N4O6S
MW: 428.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.5
XLogP31.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass428.17295580
Monoisotopic Mass428.17295580
Topological Polar Surface Area169 Ų
Heavy Atom Count29
Formal Charge0
Complexity688
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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