(1S,4S,7S,8R,11R,12S,13S)-4-hydroxy-13-isopropyl-2,12-dimethyl-10-oxa-2-azatetracyclo[5.4.1.1⁸,¹¹.0⁴,¹²]tridecane-3,9-dione

AlkaPlorer ID: AK134232

Synonym: None

IUPAC Name: (1S,4R,7S,8R,11R,12S,13S)-4-hydroxy-2,12-dimethyl-13-propan-2-yl-10-oxa-2-azatetracyclo[5.4.1.18,11.04,12]tridecane-3,9-dione

Structure

SMILES: CC(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@@H]1CC[C@]3(O)C(=O)N(C)[C@H]2[C@]13C

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InChI: InChI=1S/C16H23NO4/c1-7(2)9-10-8-5-6-16(20)14(19)17(4)12(15(8,16)3)11(9)21-13(10)18/h7-12,20H,5-6H2,1-4H3/t8-,9-,10+,11+,12+,15-,16-/m0/s1

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InChIKey: HYHHBILBXMKCIP-HACVCEMVSA-N

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Reference

PubChem CID: 127377

CAS: 99616-00-9

NPASS: NPC74576

Properties Information

Molecule Weight: 293.363

TPSA: 66.84

MolLogP: 0.8017999999999996

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information