FR-900848

AlkaPlorer ID: AK015306

Synonym: None

IUPAC Name: (2E,4E)-N-[[(2S,3R,4R,5R)-5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-5-[(1R,2R)-2-[(1R,2S)-2-[(1R,2R)-2-[(1S,2R)-2-[(Z)-2-[(1R,2R)-2-methylcyclopropyl]ethenyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienamide

Structure

SMILES: C[C@@H]1C[C@H]1/C=C\[C@H]1C[C@@H]1[C@@H]1C[C@H]1[C@H]1C[C@H]1[C@@H]1C[C@@H]1/C=C/C=C/C(O)=NC[C@@H]1O[C@@H](N2CCC(O)=NC2=O)[C@H](O)[C@H]1O

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InChI: InChI=1S/C32H43N3O6/c1-16-10-17(16)6-7-19-12-21(19)23-14-25(23)24-13-22(24)20-11-18(20)4-2-3-5-27(36)33-15-26-29(38)30(39)31(41-26)35-9-8-28(37)34-32(35)40/h2-7,16-26,29-31,38-39H,8-15H2,1H3,(H,33,36)(H,34,37,40)/b4-2+,5-3+,7-6-/t16-,17-,18+,19+,20-,21+,22+,23+,24+,25-,26+,29+,30-,31-/m1/s1

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InChIKey: QOOORVUXEUQEKV-AULIEQARSA-N

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Properties Information

Molecule Weight: 565.7110000000005

TPSA: 135.18

MolLogP: 4.040800000000004

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information