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LXW7

CAT: 0013-GTR19157604-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157604-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LXW7 is an octamer disulfide cyclic peptide and αvβ3 integrin ligand, acts as a potent and specific endothelial progenitor cells (EPCs) and endothelial cells (ECs) targeting ligand. LXW7 is a disulfide cyclic octa-peptide (cGRGDdvc) containing unnatural amino acids flanking both sides of the main functional motif.
CAS Number
1313004-77-1
Purity
>98% (HPLC)
Solubility
H2O
Smiles
NC (=O) [C@H]1CSSC[C@@H] (N) C (=O) NCC (=O) N[C@@H] (CCCNC (=N) N) C (=O) NCC (=O) N[C@@H] (CC (=O) O) C (=O) N[C@H] (CC (=O) O) C (=O) N[C@H] (C (C) C) C (=O) N1
Molecular Formula
C29H48N12O12S2
Molecular Weight
820.89
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

CID 89667563
CAS Number1313004-77-1
PubChem CID89667563
IUPAC Name2-[(4S,7R,10R,13S,19S,25S)-25-amino-4-carbamoyl-10-(carboxymethyl)-19-[3-(diaminomethylideneamino)propyl]-6,9,12,15,18,21,24-heptaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacos-13-yl]acetic acid
Molecular FormulaC29H48N12O12S2
Molecular Weight820.9
XLogP-8.5
Topological Polar Surface Area462
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Heavy Atom Count55
Formal Charge0
Complexity1480
SMILES
CC(C)[C@@H]1C(=O)N[C@H](CSSC[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC(=O)O)CC(=O)O)CCCN=C(N)N)N)C(=O)N
InChI
InChI=1S/C29H48N12O12S2/c1-12(2)22-28(53)40-17(23(31)48)11-55-54-10-13(30)24(49)35-8-18(42)37-14(4-3-5-34-29(32)33)25(50)36-9-19(43)38-15(6-20(44)45)26(51)39-16(7-21(46)47)27(52)41-22/h12-17,22H,3-11,30H2,1-2H3,(H2,31,48)(H,35,49)(H,36,50)(H,37,42)(H,38,43)(H,39,51)(H,40,53)(H,41,52)(H,44,45)(H,46,47)(H4,32,33,34)/t13-,14+,15+,16-,17-,22-/m1/s1
InChIKey
UUJIUMRQOUEUEJ-NBJCVSNRSA-N
Chemical Structure
2D Structure
2D structure of CID 89667563
CAS: 1313004-77-1
CID: 89667563
Formula: C29H48N12O12S2
MW: 820.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight820.9
XLogP3-8.5
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Exact Mass820.29560736
Monoisotopic Mass820.29560736
Topological Polar Surface Area462 Ų
Heavy Atom Count55
Formal Charge0
Complexity1480
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS5763717LXW7
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