Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

BNN

Summary
Name:ACETYL-P-AMIDINOPHENYLALANINE
Formula:C12 H15 N3 O3
Formal charge:0
Formula weight:249.266 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-acetyl-4-carbamimidoyl-L-phenylalanine
OpenEye OEToolkits1.7.2(2S)-2-acetamido-3-(4-carbamimidoylphenyl)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(NC(=O)C)Cc1ccc(cc1)C(=[N@H])N
SMILES_CANONICALCACTVS3.370CC(=O)N[C@@H](Cc1ccc(cc1)C(N)=N)C(O)=O
SMILESCACTVS3.370CC(=O)N[CH](Cc1ccc(cc1)C(N)=N)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.2[H]/N=C(\c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)C)/N
SMILESOpenEye OEToolkits1.7.2CC(=O)NC(Cc1ccc(cc1)C(=N)N)C(=O)O
InChIInChI1.03InChI=1S/C12H15N3O3/c1-7(16)15-10(12(17)18)6-8-2-4-9(5-3-8)11(13)14/h2-5,10H,6H2,1H3,(H3,13,14)(H,15,16)(H,17,18)/t10-/m0/s1
InChIKeyInChI1.03OKWDELZOYQDSQL-JTQLQIEISA-N

223790

건을2024-08-14부터공개중

PDB statisticsPDBj update infoContact PDBjnumon