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

Q00

Summary
Name:N-[(3S)-3-amino-4-phenylbutyl]-L-phenylalanine
Formula:C19 H24 N2 O2
Formal charge:0
Formula weight:312.406 Da
Component type:peptide-like

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(3S)-3-amino-4-phenylbutyl]-L-phenylalanine
OpenEye OEToolkits1.7.0(2S)-2-[[(3S)-3-azanyl-4-phenyl-butyl]amino]-3-phenyl-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(NCCC(N)Cc1ccccc1)Cc2ccccc2
SMILES_CANONICALCACTVS3.370N[C@H](CCN[C@@H](Cc1ccccc1)C(O)=O)Cc2ccccc2
SMILESCACTVS3.370N[CH](CCN[CH](Cc1ccccc1)C(O)=O)Cc2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)C[C@@H](CCN[C@@H](Cc2ccccc2)C(=O)O)N
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)CC(CCNC(Cc2ccccc2)C(=O)O)N
InChIInChI1.03InChI=1S/C19H24N2O2/c20-17(13-15-7-3-1-4-8-15)11-12-21-18(19(22)23)14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14,20H2,(H,22,23)/t17-,18+/m1/s1
InChIKeyInChI1.03SVTKCQQHQNLSOX-MSOLQXFVSA-N

224931

數據於2024-09-11公開中

PDB statisticsPDBj update infoContact PDBjnumon