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Z-Arg (PMC) -OH.CHA

CAT: 0127-OR1063895Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1063895Size:250 mg
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CAS Number
112160-33-5
MDL Number
MFCD00153323
Purity
98%
Smiles
O=C(N[C@H](C(O)=O)CCCNC(NS(=O)(C1=C(C)C(C)=C2C(CCC(C)(C)O2)=C1C)=O)=N)OCC3=CC=CC=C3.NC4CCCCC4

Chemical Information

Z-Arg(Pmc)-OH.CHA
CAS Number112160-33-5
PubChem CID50878589
IUPAC Name(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid;cyclohexanamine
Molecular FormulaC34H51N5O7S
Molecular Weight673.9
Topological Polar Surface Area204
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count47
Formal Charge0
Complexity1050
SMILES
CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)NC(=O)OCC3=CC=CC=C3)N)C.C1CCC(CC1)N
InChI
InChI=1S/C28H38N4O7S.C6H13N/c1-17-18(2)24(19(3)21-13-14-28(4,5)39-23(17)21)40(36,37)32-26(29)30-15-9-12-22(25(33)34)31-27(35)38-16-20-10-7-6-8-11-20;7-6-4-2-1-3-5-6/h6-8,10-11,22H,9,12-16H2,1-5H3,(H,31,35)(H,33,34)(H3,29,30,32);6H,1-5,7H2/t22-;/m0./s1
InChIKey
MYXGDQOQWHFITA-FTBISJDPSA-N
Chemical Structure
2D Structure
2D structure of Z-Arg(Pmc)-OH.CHA
CAS: 112160-33-5
CID: 50878589
Formula: C34H51N5O7S
MW: 673.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight673.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass673.35092016
Monoisotopic Mass673.35092016
Topological Polar Surface Area204 Ų
Heavy Atom Count47
Formal Charge0
Complexity1050
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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Alternative Products

CatalogName
C-3490.0025Z-Arg(Pmc)-OH · CHA
260359-01Z-Arg (Pmc) -OH.CHA
4014138.0001Z-Arg (Pmc) -OH · CHA
4013349.0100Fmoc-Arg (Pmc) -OH
4013348.0001H-Arg (Pmc) -OH
E-2885.0025H-Arg(Pmc)-OH
A-2875.0025Boc-Arg(Pmc)-OH
E-3015.0005Ac-Arg(Pmc)-OH
B-1670.0005Fmoc-Arg(Pmc)-OH
4018529.0001Ac-Arg (Pmc) -OH

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