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Leualacin

CAT: 0931-T25674-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T25674-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
128140-12-5
Target
Others, Calcium Channel
Related Pathways
Metabolism, Membrane transporter/Ion channel, Others
Bioactivity
Leualacin is a novel calcium blocker from Hapsidospora irregularis.
Smiles
C(C1N(C)C(=O)C(CC(C)C)OC(=O)C(CC(C)C)NC(=O)C(CC(C)C)OC(=O)CCNC1=O)C2=CC=CC=C2
Molecular Formula
C31H47N3O7
Molecular Weight
573.72
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Leualacin

structure given in first source; fungal cyclicpentadepsipeptides isolated from HAPSIDOSPORA IRREGULARIS.

CAS Number128140-12-5
PubChem CID197283
IUPAC Name(2S)-N-[(4S,6S)-4-amino-7-(3-aminopropanoyl)-6-formyl-9-hydroxy-2,11-dimethyl-5,8-dioxo-7-phenyldodecan-6-yl]-2-hydroxy-N,4-dimethylpent-4-enamide
Molecular FormulaC31H47N3O7
Molecular Weight573.7
XLogP2.1
Topological Polar Surface Area181
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Heavy Atom Count41
Formal Charge0
Complexity959
SMILES
CC(C)C[C@@H](C(=O)[C@@](C=O)(C(C1=CC=CC=C1)(C(=O)CCN)C(=O)C(CC(C)C)O)N(C)C(=O)[C@H](CC(=C)C)O)N
InChI
InChI=1S/C31H47N3O7/c1-19(2)15-23(33)27(39)30(18-35,34(7)29(41)25(37)17-21(5)6)31(26(38)13-14-32,22-11-9-8-10-12-22)28(40)24(36)16-20(3)4/h8-12,18-20,23-25,36-37H,5,13-17,32-33H2,1-4,6-7H3/t23-,24?,25-,30-,31?/m0/s1
InChIKey
ZPYMSTAWPQJBRU-DJQJIUKYSA-N
Chemical Structure
2D Structure
2D structure of Leualacin
CAS: 128140-12-5
CID: 197283
Formula: C31H47N3O7
MW: 573.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight573.7
XLogP32.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Exact Mass573.34140085
Monoisotopic Mass573.34140085
Topological Polar Surface Area181 Ų
Heavy Atom Count41
Formal Charge0
Complexity959
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-P2061Leualacin

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