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Leucinostatin C

CAT: 0013-GTR19224497-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224497-01Size:100 mg
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Description
Leucinostatin C is a peptide antibiotic isolated from the fungus Paecilomyces lilacinus. It exhibits potent antifungal activity and is utilized in research to study microbial resistance and evaluate efficacy in both in vitro assays and in vivo model systems.
CAS Number
110483-88-0
Smiles
CCC (C) C=CC (=O) N1CC (C) CC1C (=O) NC (CC (C) CC (O) CC (=O) CC) C (=O) NC (C (O) C (C) C) C (=O) NC (C) (C) C (=O) NC (CC (C) C) C (=O) NC (CC (C) C) C (=O) NC (C) (C) C (=O) NC (C) (C) C (=O) NCCC (=O) NC (C) CN |w:5.5|
Molecular Formula
C60H107N11O13
Molecular Weight
1190.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Leucinostatin C

amino acid sequence given in first source; RN given from Chemical Abstracts 1989 Index Guide; RN given refers to (S)-isomer; RN for parent cpd not avail 3/90; isolated from Paecilomyces linacinus

CAS Number110483-88-0
PubChem CID6450026
IUPAC NameN-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[3-(1-aminopropan-2-ylamino)-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)-4-methylhex-2-enoyl]pyrrolidine-2-carboxamide
Molecular FormulaC60H107N11O13
Molecular Weight1190.6
XLogP3.3
Topological Polar Surface Area366
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count14
Rotatable Bond Count36
Heavy Atom Count84
Formal Charge0
Complexity2290
SMILES
CCC(C)/C=C/C(=O)N1CC(CC1C(=O)NC(CC(C)CC(CC(=O)CC)O)C(=O)NC(C(C(C)C)O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CN)C
InChI
InChI=1S/C60H107N11O13/c1-19-36(9)21-22-47(75)71-32-38(11)29-45(71)53(80)65-44(28-37(10)27-41(73)30-40(72)20-2)51(78)67-48(49(76)35(7)8)54(81)69-59(15,16)56(83)66-42(25-33(3)4)50(77)64-43(26-34(5)6)52(79)68-60(17,18)57(84)70-58(13,14)55(82)62-24-23-46(74)63-39(12)31-61/h21-22,33-39,41-45,48-49,73,76H,19-20,23-32,61H2,1-18H3,(H,62,82)(H,63,74)(H,64,77)(H,65,80)(H,66,83)(H,67,78)(H,68,79)(H,69,81)(H,70,84)/b22-21+
InChIKey
GSDHBCARJCOTCO-QURGRASLSA-N
Chemical Structure
2D Structure
2D structure of Leucinostatin C
CAS: 110483-88-0
CID: 6450026
Formula: C60H107N11O13
MW: 1190.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1190.6
XLogP33.3
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count14
Rotatable Bond Count36
Exact Mass1189.80498251
Monoisotopic Mass1189.80498251
Topological Polar Surface Area366 Ų
Heavy Atom Count84
Formal Charge0
Complexity2290
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count11
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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L030-0.5MGLeucinostatin A
MBS5777520Leucinostatin
HY-137323Leucinostatin H
T25679-01Leucinostatin C
T25678-01Leucinostatin B
HY-N10081Leucinostatin D
MBS5775407Leucinostatin K
HY-131152-01Leucinostatin (mixture of A&B)

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