Bioactive Compound Details

BioIDbio197647
NameNone
ChEMBL IDCHEMBL1222275
Molecular FormulaC12H13NO6
Molecular Weight267.24
Molecular Weight (Monoisotopic)267.0743
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms(S)-2-(Benzyloxycarbonylamino)Succinic Acid
SmilesO=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O
InchiInChI=1S/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)/t9-/m0/s1
Inchi KeyXYXYXSKSTZAEJW-VIFPVBQESA-N
Molecular SpeciesACID
Targets4.0
Bioactivities7.0
Np Likeness Score-0.08
Records Key['Z-Asp-OH', 'SID144207409', '41', 'PKU10001674', 'Table 1, R4C5']
Records Name['(S)-2-(benzyloxycarbonylamino)succinic acid', 'SID144207409', '(S)-2-(benzyloxycarbonylamino)succinic acid', '(S)-2-(benzyloxycarbonylamino)succinic acid', 'N-Carbobenzyloxy-L-aspartic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure