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Matlystatin F

CAT: 0931-TN9905-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9905-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
140667-42-1
Target
MMP
Related Pathways
Proteases/Proteasome
Bioactivity
Matlystatin F is an inhibitor of metalloproteinases (MMP) .
Smiles
O=C([O-])C1N2C=CC(=[N+]2CCC1)C(NC(=O)C3N(NCCC3)C(=O)C(CC(=O)NO)CCCCC)C(C)CC
Molecular Formula
C27H44N6O6
Molecular Weight
548.675
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Matlystatin F

XRVWEWLMRRABGU-KPULBDBGSA-O has been reported in Actinomadura atramentaria with data available.

CAS Number140667-42-1
PubChem CID9984977
IUPAC Name1-[(1S,2S)-1-[[(3S)-2-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]diazinane-3-carbonyl]amino]-2-methylbutyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium-5-carboxylic acid
Molecular FormulaC27H45N6O6+
Molecular Weight549.7
XLogP0.7
Topological Polar Surface Area157
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Heavy Atom Count39
Formal Charge1
Complexity859
SMILES
CCCCC[C@H](CC(=O)NO)C(=O)N1[C@@H](CCCN1)C(=O)N[C@H](C2=CC=[N+]3N2CCCC3C(=O)O)[C@@H](C)CC
InChI
InChI=1S/C27H44N6O6/c1-4-6-7-10-19(17-23(34)30-39)26(36)33-21(11-8-14-28-33)25(35)29-24(18(3)5-2)20-13-16-32-22(27(37)38)12-9-15-31(20)32/h13,16,18-19,21-22,24,28H,4-12,14-15,17H2,1-3H3,(H3-,29,30,34,35,37,38,39)/p+1/t18-,19+,21-,22?,24-/m0/s1
InChIKey
XRVWEWLMRRABGU-KPULBDBGSA-O
Chemical Structure
2D Structure
2D structure of Matlystatin F
CAS: 140667-42-1
CID: 9984977
Formula: C27H45N6O6+
MW: 549.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight549.7
XLogP30.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Exact Mass549.34005818
Monoisotopic Mass549.34005818
Topological Polar Surface Area157 Ų
Heavy Atom Count39
Formal Charge1
Complexity859
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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