UNPD154835

AlkaPlorer ID: AK558156

Synonym: None

IUPAC Name: N-[(2E)-2-butan-2-ylidene-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-3-hydroxypyridine-2-carboxamide

Structure

SMILES: CC/C(C)=C1/OC(=O)C(C)C(O)C(CC2=CC=CN=C2)N=C(O)C(N=C(O)C2=NC=CC=C2O)C(C)OC1=O

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InChI: InChI=1S/C27H32N4O8/c1-5-14(2)23-27(37)38-16(4)20(31-25(35)21-19(32)9-7-11-29-21)24(34)30-18(12-17-8-6-10-28-13-17)22(33)15(3)26(36)39-23/h6-11,13,15-16,18,20,22,32-33H,5,12H2,1-4H3,(H,30,34)(H,31,35)/b23-14+

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InChIKey: WHIKSLGSXKIHCA-OEAKJJBVSA-N

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Properties Information

Molecule Weight: 540.5730000000001

TPSA: 184.02

MolLogP: 2.5927000000000007

Number of H-Donors: 4

Number of H-Acceptors: 10

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information