Nakinadine D

AlkaPlorer ID: AK307328

Synonym: None

IUPAC Name: 2-phenyl-15-pyridin-3-yl-3-(12-pyridin-3-yldodecylamino)pentadecanoic acid

Structure

SMILES: O=C(O)C(C1=CC=CC=C1)C(CCCCCCCCCCCCC1=CC=CN=C1)NCCCCCCCCCCCCC1=CC=CN=C1

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InChI: InChI=1S/C43H65N3O2/c47-43(48)42(40-30-20-17-21-31-40)41(32-22-15-11-7-2-1-5-9-13-18-26-38-28-24-33-44-36-38)46-35-23-16-12-8-4-3-6-10-14-19-27-39-29-25-34-45-37-39/h17,20-21,24-25,28-31,33-34,36-37,41-42,46H,1-16,18-19,22-23,26-27,32,35H2,(H,47,48)

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InChIKey: BCSJAFCNSRXOOE-UHFFFAOYSA-N

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Reference

PubChem CID: 74332949

CAS: 1021486-55-4

COCONUT: CNP0288533.1

Properties Information

Molecule Weight: 656.0120000000001

TPSA: 75.11

MolLogP: 11.28049999999999

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information