Summary

Molecular formula: C45H57N3O9
SMILES: CC([C@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C(=O)[C@H](OC(=O)[C@@H](N(C1=O)C)Cc1ccccc1)C(C)C)C)Cc1ccccc1)C(C)C)C
InChI: InChI=1S/C45H57N3O9/c1-28(2)37-40(49)46(7)35(26-32-21-15-11-16-22-32)44(53)56-39(30(5)6)42(51)48(9)36(27-33-23-17-12-18-24-33)45(54)57-38(29(3)4)41(50)47(8)34(43(52)55-37)25-31-19-13-10-14-20-31/h10-24,28-30,34-39H,25-27H2,1-9H3/t34-,35-,36-,37+,38+,39+/m0/s1
InChIKey: GYSCAQFHASJXRS-FFCOJMSVSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1COC(=O)C(Cc2ccccc2)NC(=O)COC(=O)C(Cc2ccccc2)NC(=O)COC(=O)C(Cc2ccccc2)N1

Scaffold Graph/Node level:
OC1COC(O)C(CC2CCCCC2)NC(O)COC(O)C(CC2CCCCC2)NC(O)COC(O)C(CC2CCCCC2)N1

Scaffold Graph level:
CC1CCC(C)C(CC2CCCCC2)CC(C)CCC(C)C(CC2CCCCC2)CC(C)CCC(C)C(CC2CCCCC2)C1

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Chemical classification

Kingdom: Organic compounds
Super class: Organic acids and derivatives
Class: Peptidomimetics
Sub class: Depsipeptides

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Synonymous chemical names:
beauvericin

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External chemical identifiers:
CID_3007984; CAS_26048-05-5; NPATLAS_NPA001888; CHEMSPIDER_2277520; ZINC_ZINC000087496145; Molport_MolPort-005-944-234

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Chemical structure download