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PRD_002413

Summary
Name:
Formula:C19 H24 N5 O4
Fomular weight:386.425
Component type:peptide-like
Polymer sequences:ACE, GLY, PHE, HSV
Non-polymer components:
Represented as:polymer

ProgramVersionName
OpenEye OEToolkits3.1.0.0(2~{S})-2-(2-acetamidoethanoylamino)-~{N}-[(2~{S})-1-(1~{H}-imidazol-3-ium-4-yl)-3-oxidanylidene-propan-2-yl]-3-phenyl-propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.385CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C=O
SMILESCACTVS3.385CC(=O)NCC(=O)N[CH](Cc1ccccc1)C(=O)N[CH](Cc2c[nH]c[nH+]2)C=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C=O
SMILESOpenEye OEToolkits3.1.0.0CC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(Cc2c[nH]c[nH+]2)C=O

227111

数据于2024-11-06公开中

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