Cyclopenin

AlkaPlorer ID: AK011736

Synonym: 'SMR000440649', 'Cyclopenin', 'MLS000876987', 'MLSMR'

IUPAC Name: (3S,3'S)-4-methyl-3'-phenylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione

Structure

SMILES: CN1C(=O)C2=CC=CC=C2N=C(O)[C@]12O[C@H]2C1=CC=CC=C1

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InChI: InChI=1S/C17H14N2O3/c1-19-15(20)12-9-5-6-10-13(12)18-16(21)17(19)14(22-17)11-7-3-2-4-8-11/h2-10,14H,1H3,(H,18,21)/t14-,17-/m0/s1

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InChIKey: APLKWZASYUZSBL-YOEHRIQHSA-N

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Source

Properties Information

Molecule Weight: 294.31

TPSA: 65.43

MolLogP: 2.828000000000001

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information