E-1010 free base   Click here for help

GtoPdb Ligand ID: 11050

Synonyms: E1010 | ER-35786
Compound class: Synthetic organic
Comment: E-1010 is a parenteral carbapenem antibiotic [1]. LIke other carbapenems, it is resistant to hydrolysis by almost all clinically relevant β-lactamases.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 6
Topological polar surface area 147.43
Molecular weight 411.18
XLogP -0.41
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)[C@@H]([C@H]1CNCC1)O)O
Isomeric SMILES C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)[C@@H]([C@H]1CNCC1)O)O
InChI InChI=1S/C19H29N3O5S/c1-8-14-13(9(2)23)18(25)22(14)15(19(26)27)17(8)28-11-5-12(21-7-11)16(24)10-3-4-20-6-10/h8-14,16,20-21,23-24H,3-7H2,1-2H3,(H,26,27)/t8-,9-,10-,11+,12+,13-,14-,16-/m1/s1
InChI Key QYOLGBCSUXWEKY-ANTKKXPTSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[(3S,5S)-5-[(R)-hydroxy-[(3R)-pyrrolidin-3-yl]methyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Synonyms Click here for help
E1010 | ER-35786
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo 414
Other databases
GtoPdb PubChem SID 405560491
PubChem CID 6918312
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