Structure Information
Structure

Compound Identification

SMILES

[Ca++].O[C@@H]1CCCC[C@H]1N(C1CC1)C(=O)NCCCOC1=CC2=C(NC(=O)C=C2)C=C1.CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12.CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12

InChIKey

InChIKey=ORZATQCPMCEVGU-ILUDBUJRSA-L

Formula

C68H99CaN3O18

Mass

1286.621

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Entity with smiles [Ca++].O[C@@H]1CCCC[C@H]1N(C1CC1)C(=O)NCCCOC1=CC2=C(NC(=O)C=C2)C=C1.CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12.CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12 has not been classified yet.

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