Dimerumic acid; N6,N6'-Dideoxy, 11,11'-di-Ac 

AlkaPlorer ID: AK296534

Synonym: Trichocyclodipeptide A

IUPAC Name: None

Structure

SMILES: CC(=O)OCC/C(C)=C/C(=O)NCCCC1NC(=O)C(CCCNC(=O)/C=C(\C)CCOC(C)=O)NC1=O

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InChI: InChI=1S/C26H40N4O8/c1-17(9-13-37-19(3)31)15-23(33)27-11-5-7-21-25(35)30-22(26(36)29-21)8-6-12-28-24(34)16-18(2)10-14-38-20(4)32/h15-16,21-22H,5-14H2,1-4H3,(H,27,33)(H,28,34)(H,29,36)(H,30,35)/b17-15+,18-16+

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InChIKey: QJNXRLUGOHRMKA-YTEMWHBBSA-N

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Reference

CAS: 2170766-74-0

Source

Properties Information

Molecule Weight: 536.6260000000004

TPSA: 169.0

MolLogP: 0.5614000000000039

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information