FP0429   Click here for help

GtoPdb Ligand ID: 1409

Synonyms: FP 0429 | FP-0429
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 158.23
Molecular weight 272.06
XLogP -4.62
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C=CC(=O)N1CC(CC1C(=O)O)(N)C(=O)O
Isomeric SMILES OC(=O)/C=C/C(=O)N1C[C@](C[C@H]1C(=O)O)(N)C(=O)O
InChI InChI=1S/C10H12N2O7/c11-10(9(18)19)3-5(8(16)17)12(4-10)6(13)1-2-7(14)15/h1-2,5H,3-4,11H2,(H,14,15)(H,16,17)(H,18,19)/b2-1+/t5-,10-/m0/s1
InChI Key ZALHFQNLXQORTH-FGLATXDZSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S,4S)-4-amino-1-[(2E)-3-carboxyprop-2-enoyl]pyrrolidine-2,4-dicarboxylic acid
Synonyms Click here for help
FP 0429 | FP-0429
Database Links Click here for help
BindingDB Ligand 50191052
CAS Registry No. 870860-41-6 (source: Scifinder)
ChEMBL Ligand CHEMBL212233
GtoPdb PubChem SID 135650282
PubChem CID 11565290
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