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Malformin C

CAT: 0498-bs-75089C-01Size: 250 µgDry Ice: NoHazardous: No
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CAT#:0498-bs-75089C-01Size:250 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
59926-78-2
Conjugation
Unconjugated
Purity
>95% (HPLC)
Buffer
Solid
Solubility
Soluble in DMSO, methanol, ethanol or chloroform. Insoluble in water.
Smiles
CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H]2CSSC[C@@H](NC1=O)C(=O)N2)C(C)C
Molecular Formula
C23H39N5O5S2
Molecular Weight
529.7
Storage Conditions
Stable for 3 years after receipt when stored at -20°C.
Appearance
White solid.

Chemical Information

Malformin C

Malformin B1b is an oligopeptide.

CAS Number59926-78-2
PubChem CID21635794
IUPAC Name(1S,4S,7R,10S,13S)-4,7-bis(2-methylpropyl)-10-propan-2-yl-15,16-dithia-2,5,8,11,19-pentazabicyclo[11.4.2]nonadecane-3,6,9,12,18-pentone
Molecular FormulaC23H39N5O5S2
Molecular Weight529.7
XLogP2.1
Topological Polar Surface Area196
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity807
SMILES
CC(C)C[C@H]1C(=O)N[C@@H]2CSSC[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC(C)C)C(C)C)NC2=O
InChI
InChI=1S/C23H39N5O5S2/c1-11(2)7-14-20(30)26-16-9-34-35-10-17(27-21(16)31)22(32)28-18(13(5)6)23(33)25-15(8-12(3)4)19(29)24-14/h11-18H,7-10H2,1-6H3,(H,24,29)(H,25,33)(H,26,30)(H,27,31)(H,28,32)/t14-,15+,16+,17+,18-/m0/s1
InChIKey
TZODYIWCRGWHQB-TZNCUMHOSA-N
Chemical Structure
2D Structure
2D structure of Malformin C
CAS: 59926-78-2
CID: 21635794
Formula: C23H39N5O5S2
MW: 529.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.7
XLogP32.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass529.23926171
Monoisotopic Mass529.23926171
Topological Polar Surface Area196 Ų
Heavy Atom Count35
Formal Charge0
Complexity807
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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