3-[(3R,6S,12S,15S)-12-(2-carboxyethyl)-2,5,11,14-tetraoxo-1,4,10,13-tetraazatricyclo[13.3.0.0⁶,¹⁰]octadecan-3-yl]propanoic acid
AlkaPlorer ID: AK322319
Synonym: None
IUPAC Name: 3-[12-(2-carboxyethyl)-2,5,11,14-tetraoxo-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecan-3-yl]propanoic acid
Structure
SMILES: O=C(O)CCC1N=C(O)C2CCCN2C(=O)C(CCC(=O)O)N=C(O)C2CCCN2C1=O
InChI: InChI=1S/C20H28N4O8/c25-15(26)7-5-11-19(31)23-9-1-3-13(23)17(29)21-12(6-8-16(27)28)20(32)24-10-2-4-14(24)18(30)22-11/h11-14H,1-10H2,(H,21,29)(H,22,30)(H,25,26)(H,27,28)
InChIKey: BOVBRDXZRVJXLF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Suberites domuncula | Suberites | Suberitidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 452.4640000000003
TPSA？: 180.4
MolLogP？: 0.3618000000000016
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|