tumonoic acid E

AlkaPlorer ID: AK007409

Synonym: '', 'Tumonoic acid E', '1-(2S,3R,4E)-3-Hydroxy-2,4,6-trimethyl-4-decenoyl-L-proline'

IUPAC Name: (2S)-1-[(E,2S,3R,6R)-3-hydroxy-2,4,6-trimethyldec-4-enoyl]pyrrolidine-2-carboxylic acid

Structure

SMILES: CCCC[C@@H](C)/C=C(\C)[C@H](O)[C@H](C)C(=O)N1CCC[C@H]1C(=O)O

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InChI: InChI=1S/C18H31NO4/c1-5-6-8-12(2)11-13(3)16(20)14(4)17(21)19-10-7-9-15(19)18(22)23/h11-12,14-16,20H,5-10H2,1-4H3,(H,22,23)/b13-11+/t12-,14+,15+,16+/m1/s1

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InChIKey: UUFOMZNZQYHUJH-GYTCHJRYSA-N

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Source

Properties Information

Molecule Weight: 325.44900000000007

TPSA: 77.84

MolLogP: 2.831600000000001

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information