Structure Information
Structure

Compound Identification

SMILES

COC1=CC(OC(C)=O)=C(CN([C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)OP(=O)(OCC2=CC=CC=C2)OCC2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2=CC=C(OP(=O)(OCC3=CC=CC=C3)OCC3=CC=CC=C3)C=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC2=CN(C=N2)C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)C=C1

InChIKey

InChIKey=JCQWIKVDJYJBGW-JTXSWQCWSA-N

Formula

C131H165N13O29P2

Mass

2447.771

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Entity with smiles COC1=CC(OC(C)=O)=C(CN([C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)OP(=O)(OCC2=CC=CC=C2)OCC2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2=CC=C(OP(=O)(OCC3=CC=CC=C3)OCC3=CC=CC=C3)C=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC2=CN(C=N2)C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)C=C1 has not been classified yet.

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