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

44U

Summary
Name:beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide
Formula:C23 H29 N3 O2
Formal charge:0
Formula weight:379.495 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide
OpenEye OEToolkits1.5.0(2S)-1-[(2R)-2-amino-3,3-diphenyl-propanoyl]-N-propyl-pyrrolidine-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NCCC)C3N(C(=O)C(N)C(c1ccccc1)c2ccccc2)CCC3
SMILES_CANONICALCACTVS3.341CCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c2ccccc2)c3ccccc3
SMILESCACTVS3.341CCCNC(=O)[CH]1CCCN1C(=O)[CH](N)C(c2ccccc2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)N
SMILESOpenEye OEToolkits1.5.0CCCNC(=O)C1CCCN1C(=O)C(C(c2ccccc2)c3ccccc3)N
InChIInChI1.03InChI=1S/C23H29N3O2/c1-2-15-25-22(27)19-14-9-16-26(19)23(28)21(24)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-21H,2,9,14-16,24H2,1H3,(H,25,27)/t19-,21+/m0/s1
InChIKeyInChI1.03HZKKJPDVZGOOPU-PZJWPPBQSA-N

222415

數據於2024-07-10公開中

PDB statisticsPDBj update infoContact PDBjnumon