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PRD_002342

Summary
Name:
Formula:C51 H66 N14 O11
Fomular weight:1051.157
Component type:peptide-like
Polymer sequences:TRP, ASN, UX8, THR, LYS, ARG, PHE
Non-polymer components:
Represented as:polymer

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.385C[C@@H](O)[C@@H]1NC(=O)[C@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc3c[nH]c4c(O[C@@H]2c5c[nH]c6cc(ccc56)[C@H](CCC[NH3+])[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc7ccccc7)C(O)=O)cccc34
SMILESCACTVS3.385C[CH](O)[CH]1NC(=O)[CH]2NC(=O)[CH](CC(N)=O)NC(=O)[CH](N)Cc3c[nH]c4c(O[CH]2c5c[nH]c6cc(ccc56)[CH](CCC[NH3+])[CH](NC1=O)C(=O)N[CH](CCCNC(N)=[NH2+])C(=O)N[CH](Cc7ccccc7)C(O)=O)cccc34
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@H]([C@H]1C(=O)N[C@@H](C(c2ccc3c(c2)[nH]cc3[C@@H]4[C@@H](C(=O)N1)NC(=O)[C@@H](NC(=O)[C@H](Cc5c[nH]c6c5cccc6O4)N)CC(=O)N)CCC[NH3+])C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N[C@@H](Cc7ccccc7)C(=O)O)O
SMILESOpenEye OEToolkits2.0.7CC(C1C(=O)NC(C(c2ccc3c(c2)[nH]cc3C4C(C(=O)N1)NC(=O)C(NC(=O)C(Cc5c[nH]c6c5cccc6O4)N)CC(=O)N)CCC[NH3+])C(=O)NC(CCCNC(=[NH2+])N)C(=O)NC(Cc7ccccc7)C(=O)O)O

221371

PDB entries from 2024-06-19

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