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3-[(2-aminoethyl)sulfanyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

AlkaPlorer ID: AK114226

Synonym: '3-(2-aminoethylthio)-6-ethyl-7-oxo-1-azabicyclo3.2.0heptane-2-carboxylic acid', 'carbapenem biosynthesis intermediate 5'

IUPAC Name: 3-(2-aminoethylsulfanyl)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Structure

SMILES: CCC1C(=O)N2C1CC(SCCN)C2C(=O)O

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InChI: InChI=1S/C11H18N2O3S/c1-2-6-7-5-8(17-4-3-12)9(11(15)16)13(7)10(6)14/h6-9H,2-5,12H2,1H3,(H,15,16)

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InChIKey: OJZAYZYCCIMRRC-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 258.343

TPSA？: 83.63

MolLogP？: 0.1408000000000005

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT001550 C/C=C1\C(=O)N2C1CC(SCCN)C2C(=O)O>>CCC1C(=O)N2C1CC(SCCN)C2C(=O)O R10755
AKRT007026 CC1C(=O)N2C1CC(SCCN)C2C(=O)O.C[SAH]>>CCC1C(=O)N2C1CC(SCCN)C2C(=O)O MNXR183506
AKRT007321 CCC1C(=O)N2C1CC(SCCN)C2C(=O)O>>CC(O)C1C(=O)N2C1CC(SCCN)C2C(=O)O R10739
AKRT007322 CCC1C(=O)N2C1CC(SCCN)C2C(=O)O>>CC[C@H]1C(=O)N2C(C(=O)O)=C(SCCN)C[C@H]12 R10743