Pseudomonic acid-C amide

AlkaPlorer ID: AK052220

Synonym: None

IUPAC Name: [8-oxo-8-[(2-oxopiperidin-3-yl)amino]octyl] (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(E,4R,5S)-5-hydroxy-4-methylhex-2-enyl]oxan-2-yl]-3-methylbut-2-enoate

Structure

SMILES: C/C(=C\C(=O)OCCCCCCCC(=O)NC1CCCNC1=O)C[C@@H]1OC[C@H](C/C=C/[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O

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InChI: InChI=1S/C30H50N2O8/c1-20(17-25-29(37)28(36)23(19-40-25)12-9-11-21(2)22(3)33)18-27(35)39-16-8-6-4-5-7-14-26(34)32-24-13-10-15-31-30(24)38/h9,11,18,21-25,28-29,33,36-37H,4-8,10,12-17,19H2,1-3H3,(H,31,38)(H,32,34)/b11-9+,20-18+/t21-,22+,23+,24?,25+,28-,29+/m1/s1

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InChIKey: NUPBQQAADVVMKE-JLURVKDLSA-N

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Source

Properties Information

Molecule Weight: 566.7360000000004

TPSA: 154.42

MolLogP: 2.3014000000000023

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information