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Chemical structure of Phomopsinamine

GC48394

Phomopsinamine

Also known as N-(1-amino-3-methyl-1-oxopent-2-en-2-yl)-1-[14-chloro-3-ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-6,9-dioxo-7-prop-1-en-2-yl-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]-2,5-dihydropyrrole-2-carboxamide

An inhibitor of microtubule polymerization

ChemicalCAS89085-54-1MW675.2FormulaC32H43ClN6O8
CAS number
89085-54-1
Molecular weight
675.2
Formula
C32H43ClN6O8
InChIKey
YFIIICIITZPYSM-UHFFFAOYSA-N
Catalogue number
GC48394
Brand
GLPBIO
Computed properties PubChem CID 72729480 · XLogP 2.2 · TPSA 212 Ų · H-bond donors 7
XLogP
2.2
TPSA
212 Ų
H-bond donors
7
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
47

SMILES CCC(=C(C(=O)N)NC(=O)C1C=CCN1C(=O)C2C(OC3=C(C(=CC(=C3)C(C(C(=O)NC(C(=O)N2)C(=C)C)NC)O)Cl)O)(C)CC)C

Computed descriptors from PubChem (CID 72729480), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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