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Z-Arg (Boc) ₂-OH · CHA

CAT: 0121-4018965.0005Size: 5 gDry Ice: NoHazardous: No
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CAT#:0121-4018965.0005Size:5 g
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CAS Number
145315-39-5
Specifications
C-3710.0005
Synonyms
Z-ω, ω'-Arg (Boc) ₂-OH · CHA
Sequence
Z-Arg (Boc) ₂-OH · CHA
Molecular Formula
C₂₄H₃₆N₄O₈ · C₆H₁₃N
Molecular Weight
607.75
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

Z-Arg(boc)2-OH cha
CAS Number145315-39-5
PubChem CID56776967
IUPAC Name(2S)-5-[[amino-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methylidene]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid;cyclohexanamine
Molecular FormulaC30H49N5O8
Molecular Weight607.7
Topological Polar Surface Area196
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Heavy Atom Count43
Formal Charge0
Complexity813
SMILES
CC(C)(C)OC(=O)N(C(=NCCC[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1)N)C(=O)OC(C)(C)C.C1CCC(CC1)N
InChI
InChI=1S/C24H36N4O8.C6H13N/c1-23(2,3)35-21(32)28(22(33)36-24(4,5)6)19(25)26-14-10-13-17(18(29)30)27-20(31)34-15-16-11-8-7-9-12-16;7-6-4-2-1-3-5-6/h7-9,11-12,17H,10,13-15H2,1-6H3,(H2,25,26)(H,27,31)(H,29,30);6H,1-5,7H2/t17-;/m0./s1
InChIKey
QBGRVFFDXXNSRE-LMOVPXPDSA-N
Chemical Structure
2D Structure
2D structure of Z-Arg(boc)2-OH cha
CAS: 145315-39-5
CID: 56776967
Formula: C30H49N5O8
MW: 607.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight607.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Exact Mass607.35811354
Monoisotopic Mass607.35811354
Topological Polar Surface Area196 Ų
Heavy Atom Count43
Formal Charge0
Complexity813
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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