Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C[C@@H](NC(=O)CC2=CC=C([125I])C=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C=C1

InChIKey

InChIKey=JGIGNIQUFLDYCV-DYGUSKGHSA-N

Formula

C53H73IN16O11

Mass

1235.173

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Entity with smiles COC1=CC=C(C[C@@H](NC(=O)CC2=CC=C([125I])C=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C=C1 has not been classified yet.

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