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SPACE peptide

CAT: 0013-GTR19153904-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153904-02Size:250 mg
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Description
SPACE peptide is a skin penetrating peptide which facilitates the delivery of molecules through the skin.
CAS Number
1621717-95-0
Purity
>98%
Molecular Formula
C40H63N15O17S2
Molecular Weight
1090.15
Notes
For research use only.

Chemical Information

SPACE peptide
CAS Number1621717-95-0
PubChem CID170907819
IUPAC Name2-[[(4R,7S,10S,13S,16S,19S,25S,28R)-7,13-bis(3-amino-3-oxopropyl)-28-[[(2S)-2-aminopropanoyl]amino]-16,25-bis[(1R)-1-hydroxyethyl]-19-(hydroxymethyl)-10-(1H-imidazol-5-ylmethyl)-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octazacyclononacosane-4-carbonyl]amino]acetic acid
Molecular FormulaC40H63N15O17S2
Molecular Weight1090.2
XLogP-9.8
Topological Polar Surface Area580
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count21
Rotatable Bond Count16
Heavy Atom Count74
Formal Charge0
Complexity2060
SMILES
C[C@H]([C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N1)NC(=O)[C@H](C)N)C(=O)NCC(=O)O)CCC(=O)N)CC2=CN=CN2)CCC(=O)N)[C@@H](C)O)CO)O
InChI
InChI=1S/C40H63N15O17S2/c1-16(41)32(64)52-25-14-74-73-13-24(33(65)46-11-29(62)63)53-35(67)20(4-6-26(42)59)49-36(68)22(8-19-9-44-15-47-19)51-34(66)21(5-7-27(43)60)50-40(72)31(18(3)58)55-37(69)23(12-56)48-28(61)10-45-39(71)30(17(2)57)54-38(25)70/h9,15-18,20-25,30-31,56-58H,4-8,10-14,41H2,1-3H3,(H2,42,59)(H2,43,60)(H,44,47)(H,45,71)(H,46,65)(H,48,61)(H,49,68)(H,50,72)(H,51,66)(H,52,64)(H,53,67)(H,54,70)(H,55,69)(H,62,63)/t16-,17+,18+,20-,21-,22-,23-,24-,25-,30-,31-/m0/s1
InChIKey
NDGGTJRAQNJEBK-GTKCDMHESA-N
Chemical Structure
2D Structure
2D structure of SPACE peptide
CAS: 1621717-95-0
CID: 170907819
Formula: C40H63N15O17S2
MW: 1090.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1090.2
XLogP3-9.8
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count21
Rotatable Bond Count16
Exact Mass1089.39677795
Monoisotopic Mass1089.39677795
Topological Polar Surface Area580 Ų
Heavy Atom Count74
Formal Charge0
Complexity2060
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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M30105SPACE peptide
MBS5789192SPACE peptide acetate
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064-10Prepro-VIP (111-122) / prepro-Peptide Histidine Methionine (PHM) (111-122) / PHM-VIP Space Peptide
1021230Space Tube
P36205SPACE (pRZ1813)
1150830Space Lines
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