Xiamenmycin A

AlkaPlorer ID: AK009036

Synonym: None

IUPAC Name: (2S,3R)-3-hydroxy-2-[[(2R,3S)-3-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-6-carbonyl]amino]butanoic acid

Structure

SMILES: CC(C)=CCC[C@@]1(C)OC2=CC=C(C(O)=N[C@H](C(=O)O)[C@@H](C)O)C=C2C[C@@H]1O

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InChI: InChI=1S/C21H29NO6/c1-12(2)6-5-9-21(4)17(24)11-15-10-14(7-8-16(15)28-21)19(25)22-18(13(3)23)20(26)27/h6-8,10,13,17-18,23-24H,5,9,11H2,1-4H3,(H,22,25)(H,26,27)/t13-,17+,18+,21-/m1/s1

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InChIKey: JEQRSDJVWOFRBQ-HTRFZCGXSA-N

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Properties Information

Molecule Weight: 391.46400000000017

TPSA: 119.58

MolLogP: 2.6261000000000005

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information