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33L

Summary
Name:N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide
Synonyms:Nalpha-benzoyl-N-[(2Z)-2-iminoethyl]-L-phenylalaninamide, bound form
Formula:C18 H21 N3 O2
Formal charge:0
Formula weight:311.378 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide
OpenEye OEToolkits1.7.6N-[(2S)-1-(2-azanylethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NCCN)C(NC(=O)c1ccccc1)Cc2ccccc2
InChIInChI1.03InChI=1S/C18H21N3O2/c19-11-12-20-18(23)16(13-14-7-3-1-4-8-14)21-17(22)15-9-5-2-6-10-15/h1-10,16H,11-13,19H2,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKeyInChI1.03WNPRWIUDHVJPCD-INIZCTEOSA-N
SMILES_CANONICALCACTVS3.385NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccccc2
SMILESCACTVS3.385NCCNC(=O)[CH](Cc1ccccc1)NC(=O)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)C[C@@H](C(=O)NCCN)NC(=O)c2ccccc2
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)CC(C(=O)NCCN)NC(=O)c2ccccc2

224931

PDB entries from 2024-09-11

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