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(Lys (Z) 2) -Tuftsin

CAT: 0926-FL109437-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FL109437-01Size:25 mg
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CAS Number
73363-35-6
Synonyms
H-Thr-Lys (Z) -Pro-Arg-OH; H-TK (Cbz) PR-OH
MDL Number
MFCD00237301
Smiles
CC (C (C (=O) NC (CCCCNC (=O) OCC1=CC=CC=C1) C (=O) N2CCCC2C (=O) NC (CCCN=C (N) N) C (=O) O) N) O
Molecular Formula
C29H46N8O8
Molecular Weight
634.72 g/mol
Controlled
No

Chemical Information

(Lys(Z)2)-Tuftsin
CAS Number73363-35-6
PubChem CID172641494
IUPAC Name2-[[1-[2-[(2-amino-3-hydroxybutanoyl)amino]-6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular FormulaC29H46N8O8
Molecular Weight634.7
XLogP-4.9
Topological Polar Surface Area265
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count19
Heavy Atom Count45
Formal Charge0
Complexity1020
SMILES
CC(C(C(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)O)N)O
InChI
InChI=1S/C29H46N8O8/c1-18(38)23(30)25(40)35-20(11-5-6-14-34-29(44)45-17-19-9-3-2-4-10-19)26(41)37-16-8-13-22(37)24(39)36-21(27(42)43)12-7-15-33-28(31)32/h2-4,9-10,18,20-23,38H,5-8,11-17,30H2,1H3,(H,34,44)(H,35,40)(H,36,39)(H,42,43)(H4,31,32,33)
InChIKey
DSQOGRYDTIEEAA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Lys(Z)2)-Tuftsin
CAS: 73363-35-6
CID: 172641494
Formula: C29H46N8O8
MW: 634.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight634.7
XLogP3-4.9
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count19
Exact Mass634.34386046
Monoisotopic Mass634.34386046
Topological Polar Surface Area265 Ų
Heavy Atom Count45
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19222718-01Tuftsin, lys (4) -
MBS5784445Tuftsin, lys(4)-
H-5025.1000(Lys(Z)2)-Tuftsin
T9157-25BTuftsin [Thr-Lys-3,4-dehydro-Pro-Arg]
SP-55167-1Tuftsin [H-THr-Lys-Pro-Arg-OH; MW: 5.6]
4003033.0050Tuftsin

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