2-[[3-[2-(4-Hydroxyphenyl)ethyl]-2,5,8-trioxo-6-propyl-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
AlkaPlorer ID: AK344199
Synonym: None
IUPAC Name: 2-[[3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-6-propyl-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
Structure
SMILES: CCCC1N=C(O)C(N=C(O)NC(C(=O)O)C(C)CC)CCCCN=C(O)C(CCC2=CC=C(O)C=C2)N=C1O
InChI: InChI=1S/C28H43N5O7/c1-4-8-20-25(36)31-22(15-12-18-10-13-19(34)14-11-18)24(35)29-16-7-6-9-21(26(37)30-20)32-28(40)33-23(27(38)39)17(3)5-2/h10-11,13-14,17,20-23,34H,4-9,12,15-16H2,1-3H3,(H,29,35)(H,30,37)(H,31,36)(H,38,39)(H2,32,33,40)
InChIKey: BKSASIFSSJRKFB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sphaerospermopsis torques-reginae | Sphaerospermopsis | Aphanizomenonaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 561.6800000000004
TPSA？: 199.92
MolLogP？: 4.287000000000003
Number of H-Donors: 7
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|