(1R)-2-amino-4-methoxy-1,5-dimethyl-6-oxocyclohexa-2,4-dien-1-yl (2R)-2-methylbutanoate

AlkaPlorer ID: AK099271

Synonym: None

IUPAC Name: [(1R)-2-amino-4-methoxy-1,5-dimethyl-6-oxocyclohexa-2,4-dien-1-yl] (2R)-2-methylbutanoate

Structure

SMILES: CC[C@@H](C)C(=O)O[C@@]1(C)C(=O)C(C)=C(OC)C=C1N

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InChI: InChI=1S/C14H21NO4/c1-6-8(2)13(17)19-14(4)11(15)7-10(18-5)9(3)12(14)16/h7-8H,6,15H2,1-5H3/t8-,14-/m1/s1

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InChIKey: DVFZTCBFGQKSTB-XLKFXECMSA-N

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Reference

PubChem CID: 162878902

SuperNatural Ⅲ: SN0076389-02

NPASS: NPC71398

Properties Information

Molecule Weight: 267.32499999999993

TPSA: 78.62

MolLogP: 1.6801

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information