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

R00

Summary
Name:N-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-phenylalanine
Formula:C19 H24 N2 O3
Formal charge:0
Formula weight:328.405 Da
Component type:peptide-like

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(NCC(O)C(N)Cc1ccccc1)Cc2ccccc2
SMILES_CANONICALCACTVS3.370N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc2ccccc2)C(O)=O
SMILESCACTVS3.370N[CH](Cc1ccccc1)[CH](O)CN[CH](Cc2ccccc2)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)C[C@@H]([C@H](CN[C@@H](Cc2ccccc2)C(=O)O)O)N
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)CC(C(CNC(Cc2ccccc2)C(=O)O)O)N
InChIInChI1.03InChI=1S/C19H24N2O3/c20-16(11-14-7-3-1-4-8-14)18(22)13-21-17(19(23)24)12-15-9-5-2-6-10-15/h1-10,16-18,21-22H,11-13,20H2,(H,23,24)/t16-,17-,18-/m0/s1
InChIKeyInChI1.03CZBXMSVQJQIYRS-BZSNNMDCSA-N

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon