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PRD_002359

Summary
Name:OO1-WFP-SER-PRO-YCP-ALA-MP8 ureadepsipeptide
Formula:C40 H49 F2 N7 O8
Fomular weight:793.856
Component type:peptide-like
Polymer sequences:OO1, WFP, SER, PRO, YCP, ALA, MP8
Non-polymer components:
BIRD class:Antibiotic
Represented as:polymer

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.385C[C@@H]1C[C@@H]2N(C1)C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](COC2=O)NC(=O)[C@H](Cc5cc(F)cc(F)c5)NC(=O)Nc6ccc(C)cc6
SMILESCACTVS3.385C[CH]1C[CH]2N(C1)C(=O)[CH](C)NC(=O)[CH]3CCCCN3C(=O)[CH]4CCCN4C(=O)[CH](COC2=O)NC(=O)[CH](Cc5cc(F)cc(F)c5)NC(=O)Nc6ccc(C)cc6
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(cc1)NC(=O)N[C@@H](Cc2cc(cc(c2)F)F)C(=O)N[C@H]3COC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC(=O)[C@@H]5CCCCN5C(=O)[C@@H]6CCCN6C3=O)C)C
SMILESOpenEye OEToolkits2.0.7Cc1ccc(cc1)NC(=O)NC(Cc2cc(cc(c2)F)F)C(=O)NC3COC(=O)C4CC(CN4C(=O)C(NC(=O)C5CCCCN5C(=O)C6CCCN6C3=O)C)C

218500

PDB entries from 2024-04-17

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