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CC 1014

CAT: 0931-T25211-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0931-T25211-01Size:500 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
76600-38-9
Target
Others, Antifungal, Antibiotic
Related Pathways
Others, Microbiology/Virology
Bioactivity
CC 1014 is a polypeptide antibiotic isolated from Penicillium lilacinum that inhibits phosphorylation of ADP, Mg ATPase.
Smiles
CC[C@H](C)\C=C\C(=O)N1C[C@@H](C)C[C@H]1C(=O)N[C@@H](C[C@H](C)C[C@H](O)CC(=O)CC)C(=O)N[C@@H]([C@H](O)C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)CN(C)C
Molecular Formula
C62H111N11O13
Molecular Weight
1218.634
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Leucinostatin A

Leucinostatin A has been reported in Paecilomyces and Purpureocillium lilacinum with data available.

CAS Number76600-38-9
PubChem CID156012899
IUPAC Name(2S,4S)-N-[(2S,4S,6S)-1-[[(2S,3R)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[[(2S)-1-(dimethylamino)propan-2-yl]amino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-6-hydroxy-4-methyl-1,8-dioxodecan-2-yl]-4-methyl-1-[(E,4S)-4-methylhex-2-enoyl]pyrrolidine-2-carboxamide
Molecular FormulaC62H111N11O13
Molecular Weight1218.6
XLogP4.3
Topological Polar Surface Area343
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count14
Rotatable Bond Count37
Heavy Atom Count86
Formal Charge0
Complexity2340
SMILES
CC[C@H](C)/C=C/C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](C[C@H](C)C[C@@H](CC(=O)CC)O)C(=O)N[C@@H]([C@@H](C(C)C)O)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)CN(C)C)C
InChI
InChI=1S/C62H111N11O13/c1-21-38(9)23-24-49(77)73-33-40(11)31-47(73)55(82)66-46(30-39(10)29-43(75)32-42(74)22-2)53(80)68-50(51(78)37(7)8)56(83)70-61(15,16)58(85)67-44(27-35(3)4)52(79)65-45(28-36(5)6)54(81)69-62(17,18)59(86)71-60(13,14)57(84)63-26-25-48(76)64-41(12)34-72(19)20/h23-24,35-41,43-47,50-51,75,78H,21-22,25-34H2,1-20H3,(H,63,84)(H,64,76)(H,65,79)(H,66,82)(H,67,85)(H,68,80)(H,69,81)(H,70,83)(H,71,86)/b24-23+/t38-,39+,40-,41-,43-,44-,45-,46-,47-,50-,51+/m0/s1
InChIKey
FOAIGCPESMNWQP-TXVCAPCZSA-N
Chemical Structure
2D Structure
2D structure of Leucinostatin A
CAS: 76600-38-9
CID: 156012899
Formula: C62H111N11O13
MW: 1218.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1218.6
XLogP34.3
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count14
Rotatable Bond Count37
Exact Mass1217.83628264
Monoisotopic Mass1217.83628264
Topological Polar Surface Area343 Ų
Heavy Atom Count86
Formal Charge0
Complexity2340
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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