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CRT

CAT: 0931-TP3447-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TP3447-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2414254-70-7
Target
Others
Related Pathways
Others
Bioactivity
CRT is an iron-peptide mimic capable of binding to apotransferrin (apo-Tf) . It can be used to modify nanoparticles to enhance drug delivery efficiency.
Smiles
O=C1[C@]2(N(CCC2)C(=O)CNC(=O)[C@]([C@H](CC)C)(NC(=O)[C@]([C@@H](C)O)(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CSSC[C@@H](C(O)=O)NC(=O)[C@H]([C@@H](C)C)NC(=O)[C@H](CO)N1)[H])[H])[H]
Molecular Formula
C37H64N12O12S2
Molecular Weight
933.11
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Cys(1)-Arg-Thr-Ile-Gly-Pro-Ser-Val-Cys(1)-OH
CAS Number2414254-70-7
PubChem CID169450595
IUPAC Name(6S,9S,12S,15R,20R,23S,26S,29S)-15-amino-6-[(2S)-butan-2-yl]-12-[3-(diaminomethylideneamino)propyl]-9-[(1R)-1-hydroxyethyl]-26-(hydroxymethyl)-2,5,8,11,14,22,25,28-octaoxo-23-propan-2-yl-17,18-dithia-1,4,7,10,13,21,24,27-octazabicyclo[27.3.0]dotriacontane-20-carboxylic acid
Molecular FormulaC37H64N12O12S2
Molecular Weight933.1
XLogP-4.9
Topological Polar Surface Area443
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Heavy Atom Count63
Formal Charge0
Complexity1670
SMILES
CC[C@H](C)[C@H]1C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)O)CCCN=C(N)N)N)C(=O)O)C(C)C)CO
InChI
InChI=1S/C37H64N12O12S2/c1-6-18(4)27-33(57)42-13-25(52)49-12-8-10-24(49)32(56)44-22(14-50)31(55)46-26(17(2)3)34(58)45-23(36(60)61)16-63-62-15-20(38)29(53)43-21(9-7-11-41-37(39)40)30(54)48-28(19(5)51)35(59)47-27/h17-24,26-28,50-51H,6-16,38H2,1-5H3,(H,42,57)(H,43,53)(H,44,56)(H,45,58)(H,46,55)(H,47,59)(H,48,54)(H,60,61)(H4,39,40,41)/t18-,19+,20-,21-,22-,23-,24-,26-,27-,28-/m0/s1
InChIKey
NVZFEKOKXWXBNJ-KPFCNXGFSA-N
Chemical Structure
2D Structure
2D structure of H-Cys(1)-Arg-Thr-Ile-Gly-Pro-Ser-Val-Cys(1)-OH
CAS: 2414254-70-7
CID: 169450595
Formula: C37H64N12O12S2
MW: 933.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight933.1
XLogP3-4.9
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Exact Mass932.42080787
Monoisotopic Mass932.42080787
Topological Polar Surface Area443 Ų
Heavy Atom Count63
Formal Charge0
Complexity1670
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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