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Boc-D-Arg (Z) ₂-OH

CAT: 0121-4019041.0005Size: 5 gDry Ice: NoHazardous: No
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CAT#:0121-4019041.0005Size:5 g
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CAS Number
145881-13-6
Specifications
A-3525.0005
Synonyms
Boc-δ, ω-D-Arg (Z) ₂-OH
Sequence
Boc-D-Arg (Z) ₂-OH
Molecular Formula
C₂₇H₃₄N₄O₈
Molecular Weight
542.59
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

Boc-D-arg(Z)2-OH
CAS Number145881-13-6
PubChem CID56777344
IUPAC Name(2R)-5-[bis(phenylmethoxycarbonylamino)methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Molecular FormulaC27H34N4O8
Molecular Weight542.6
XLogP5
Topological Polar Surface Area165
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count16
Heavy Atom Count39
Formal Charge0
Complexity792
SMILES
CC(C)(C)OC(=O)N[C@H](CCCN=C(NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C27H34N4O8/c1-27(2,3)39-26(36)29-21(22(32)33)15-10-16-28-23(30-24(34)37-17-19-11-6-4-7-12-19)31-25(35)38-18-20-13-8-5-9-14-20/h4-9,11-14,21H,10,15-18H2,1-3H3,(H,29,36)(H,32,33)(H2,28,30,31,34,35)/t21-/m1/s1
InChIKey
ZWRJPLNCTNRXPE-OAQYLSRUSA-N
Chemical Structure
2D Structure
2D structure of Boc-D-arg(Z)2-OH
CAS: 145881-13-6
CID: 56777344
Formula: C27H34N4O8
MW: 542.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight542.6
XLogP35
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count16
Exact Mass542.23766406
Monoisotopic Mass542.23766406
Topological Polar Surface Area165 Ų
Heavy Atom Count39
Formal Charge0
Complexity792
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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