Kleboxymycin

AlkaPlorer ID: AK109792

Synonym: None

IUPAC Name: (6S,6aS)-4,6-dihydroxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

Structure

SMILES: O=C1C2=CC=CC(O)=C2N[C@@H](O)[C@@H]2CCCN12

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InChI: InChI=1S/C12H14N2O3/c15-9-5-1-3-7-10(9)13-11(16)8-4-2-6-14(8)12(7)17/h1,3,5,8,11,13,15-16H,2,4,6H2/t8-,11-/m0/s1

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InChIKey: QEILHZZUMSPTRX-KWQFWETISA-N

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Properties Information

Molecule Weight: 234.255

TPSA: 72.8

MolLogP: 0.7406999999999999

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information