Structure Information
Structure

Compound Identification

SMILES

C[C@H](O)[C@@H]1NC(=O)[C@@H]2CC3=CN(C[C@@H](NC(=O)[C@H](CO)NC(=O)C[C@H](NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CO)NC1=O)[C@@H](O)\C=C(/C)\C=C\C1=CC=CC=C1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](O)C(N)=O)C(=O)N[C@@H]([C@@H](C)C1=CC=C(Br)C=C1)C(=O)NC[C@H](O)C(=O)N[C@@H](C[C@@H](O)CC(=O)N2)C(O)=O)C=[N+]3[C@H](O[C@H](CO)\C=N/NC(=O)CCC1=[N+]2C(C=C1)=CC1=C(C)C=C(C)N1[B-]2(F)F)C=O

InChIKey

InChIKey=WWHYQCBPJCXLQJ-XKDWSLOOSA-O

Formula

C89H111BBrF2N20O27

Mass

2021.69

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Entity with smiles C[C@H](O)[C@@H]1NC(=O)[C@@H]2CC3=CN(C[C@@H](NC(=O)[C@H](CO)NC(=O)C[C@H](NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CO)NC1=O)[C@@H](O)\C=C(/C)\C=C\C1=CC=CC=C1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](O)C(N)=O)C(=O)N[C@@H]([C@@H](C)C1=CC=C(Br)C=C1)C(=O)NC[C@H](O)C(=O)N[C@@H](C[C@@H](O)CC(=O)N2)C(O)=O)C=[N+]3[C@H](O[C@H](CO)\C=N/NC(=O)CCC1=[N+]2C(C=C1)=CC1=C(C)C=C(C)N1[B-]2(F)F)C=O has not been classified yet.

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