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FJB

Summary
Name:[[(2~{R})-2-(5-phenylpentanoylamino)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium
Formula:C14 H20 N7 O2
Formal charge:1
Formula weight:318.354 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6[[(2~{R})-2-(5-phenylpentanoylamino)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H19N7O2/c15-17-14(23)12(13-18-20-21-19-13)16-11(22)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9,15H2,(H,16,22)(H,17,23)(H,18,19,20,21)/p+1/t12-/m1/s1
InChIKeyInChI1.03YIHNPEJJALKKOD-GFCCVEGCSA-O
SMILES_CANONICALCACTVS3.385[NH3+]NC(=O)[C@H](NC(=O)CCCCc1ccccc1)c2n[nH]nn2
SMILESCACTVS3.385[NH3+]NC(=O)[CH](NC(=O)CCCCc1ccccc1)c2n[nH]nn2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)CCCCC(=O)N[C@H](c2n[nH]nn2)C(=O)N[NH3+]
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)CCCCC(=O)NC(c2n[nH]nn2)C(=O)N[NH3+]

227344

PDB entries from 2024-11-13

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