CJO

?

Summary

Name:[(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid
Formula:C15 H21 N3 O5
Formal charge:0
Molecular weight:323.344 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.04[(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid
OpenEye OEToolkits1.5.02-[(4R)-2-[(1R,2R)-1-amino-2-hydroxy-propyl]-4-[(4-hydroxyphenyl)methyl]-5-oxo-imidazolidin-1-yl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1N(CC(=O)O)C(NC1Cc2ccc(O)cc2)C(N)C(O)C
SMILES_CANONICALCACTVS3.341C[C@@H](O)[C@H](N)[C@@H]1N[C@H](Cc2ccc(O)cc2)C(=O)N1CC(O)=O
SMILESCACTVS3.341C[CH](O)[CH](N)[CH]1N[CH](Cc2ccc(O)cc2)C(=O)N1CC(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@H]([C@@H](C1N[C@@H](C(=O)N1CC(=O)O)Cc2ccc(cc2)O)N)O
SMILESOpenEye OEToolkits1.5.0CC(C(C1NC(C(=O)N1CC(=O)O)Cc2ccc(cc2)O)N)O
InChIInChI1.03InChI=1S/C15H21N3O5/c1-8(19)13(16)14-17-11(15(23)18(14)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-5,8,11,13-14,17,19-20H,6-7,16H2,1H3,(H,21,22)/t8-,11-,13+,14?/m1/s1
InChIKeyInChI1.03BZMNQTKYDIZOBE-CZVDBWHYSA-N
167518
PDB entries from 2020-08-12