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Chemical structure of Leucinostatin A

GC44050

Leucinostatin A

Also known as N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[3-[1-(dimethylamino)propan-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

Leucinostatin A is a fungal metabolite originally isolated from P

ChemicalCAS76600-38-9MW1218.6FormulaC62H111N11O13
CAS number
76600-38-9
Molecular weight
1218.6
Formula
C62H111N11O13
Solubility
DMF: soluble,DMSO: soluble,Ethanol: soluble,Methanol: soluble
InChIKey
FOAIGCPESMNWQP-WCWDXBQESA-N
Catalogue number
GC44050
Brand
GLPBIO
Computed properties PubChem CID 5477807 · XLogP 4.3 · TPSA 343 Ų · H-bond donors 11
XLogP
4.3
TPSA
343 Ų
H-bond donors
11
H-bond acceptors
14
Rotatable bonds
37
Heavy atoms
86

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)C)C

Computed descriptors from PubChem (CID 5477807), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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