Structure Information
Structure

Compound Identification

SMILES

CC[C@@H](CO)NCCN[C@@H](CC)CO.C[C@H]1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1.CC(C)N=C1C=C2N(C3=CC=C(Cl)C=C3)C3=CC=CC=C3N=C2C=C1NC1=CC=C(Cl)C=C1.CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(O)=C(NC(=O)\C(C)=C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)\C(=C/NN1CCN(C)CC1)C(=O)C4=C3C2=O

InChIKey

InChIKey=QYKPDCOQNXAHNU-JHIUKEPHSA-N

Formula

C98H124Cl2FN13O18

Mass

1862.04

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Entity with smiles CC[C@@H](CO)NCCN[C@@H](CC)CO.C[C@H]1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1.CC(C)N=C1C=C2N(C3=CC=C(Cl)C=C3)C3=CC=CC=C3N=C2C=C1NC1=CC=C(Cl)C=C1.CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(O)=C(NC(=O)\C(C)=C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)\C(=C/NN1CCN(C)CC1)C(=O)C4=C3C2=O has not been classified yet.

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