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Structure

Calcimycin hemicalcium salt

CAS
59450-89-4
Catalog Number
ACM59450894
Category
Other Products
Molecular Weight
1085.3
Molecular Formula
C58H72CaN6O12

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Specification

Synonyms
Calimycin hemicalcium salt, Calcimycin hemicalcium salt, A23187 hemicalcium salt, Antibiotic A 23187 hemicalcium salt, C9275_SIGMA, Calcium Ionophore A23187 hemicalcium salt, Calcium Ionophore-?A23187 hemicalcium salt, 59450-89-4
IUPAC Name
calcium;5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylate;5-(methylamino)-2-[[(2S,3R,5R,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyr
Canonical SMILES
CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)[O-])NC.CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)[O-])NC.[Ca+2]
InChI Key
LAQWEYASNNRUGY-PLYBNSMSSA-L
H-Bond Acceptor
16
H-Bond Donor
4
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