(13S,16aS)-13-[(1S)-1-hydroxypropyl]-2-oxo-1H,3H,4H,5H,6H,7H,9H,10H,11H,13H,14H,16aH-pyrido[2,1-d]1,5,9-triazacyclotridecane-8-carbaldehyde
AlkaPlorer ID: AK009878
Synonym: None
IUPAC Name: (13S,17S)-17-[(1S)-1-hydroxypropyl]-11-oxo-1,5,10-triazabicyclo[11.4.0]heptadec-14-ene-5-carbaldehyde
Structure
SMILES: CC[C@H](O)[C@@H]1CC=C[C@@H]2CC(O)=NCCCCN(C=O)CCCN21
InChI: InChI=1S/C18H31N3O3/c1-2-17(23)16-8-5-7-15-13-18(24)19-9-3-4-10-20(14-22)11-6-12-21(15)16/h5,7,14-17,23H,2-4,6,8-13H2,1H3,(H,19,24)/t15-,16+,17+/m1/s1
InChIKey: LAEWGEHSKCMNRG-IKGGRYGDSA-N
Source
Properties Information
Molecule Weight: 337.46400000000006
TPSA？: 76.36999999999999
MolLogP？: 1.7453
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|