3-Ethylidene-6-isopropyl-2,5-piperazinedione; (3ξ,6ξ)-form

AlkaPlorer ID: AK298039

Synonym: Brevibactin B

IUPAC Name: (3Z)-3-ethylidene-6-propan-2-ylpiperazine-2,5-dione

Structure

SMILES: C/C=C1\NC(=O)C(C(C)C)NC1=O

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InChI: InChI=1S/C9H14N2O2/c1-4-6-8(12)11-7(5(2)3)9(13)10-6/h4-5,7H,1-3H3,(H,10,13)(H,11,12)/b6-4-

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InChIKey: IXFLEFDZLCPNHB-XQRVVYSFSA-N

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Reference

PubChem CID: 102600994

CAS: 1802672-80-5

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Properties Information

Molecule Weight: 182.223

TPSA: 58.2

MolLogP: 0.1607999999999999

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information