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Chemical structure of TPU-0037A

GC45068

TPU-0037A

Also known as 2-[(4E,8E,12E,16E)-21-[1-[(E)-(2,4-dioxopyrrolidin-3-ylidene)-hydroxymethyl]-5,6-dihydroxy-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-2,6,10,14,18-pentahydroxy-11,17,19-trimethylhenicosa-4,8,12,16-tetraenyl]pyrrolidine-1-carboximidamide

TPU-0037A is an antibiotic and a congener of lydicamycin

ChemicalCAS485815-59-6MW841.1FormulaC46H72N4O10
CAS number
485815-59-6
Molecular weight
841.1
Formula
C46H72N4O10
Solubility
Soluble in DMSO
InChIKey
UXOJELXNKQYYOV-HTIPQZHASA-N
Catalogue number
GC45068
Brand
GLPBIO
Computed properties PubChem CID 54717801 · XLogP 3 · TPSA 261 Ų · H-bond donors 11
XLogP
3
TPSA
261 Ų
H-bond donors
11
H-bond acceptors
11
Rotatable bonds
20
Heavy atoms
60

SMILES CC1=CC2C(CCC(C2O)O)C(C1CCC(C)C(/C(=C/CC(/C=C/C(C)C(/C=C/CC(/C=C/CC(CC3CCCN3C(=N)N)O)O)O)O)/C)O)(C)/C(=C\4/C(=O)CNC4=O)/O

Computed descriptors from PubChem (CID 54717801), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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