Namalide B
AlkaPlorer ID: AK109468
Synonym: None
IUPAC Name: (2S,3R)-2-[[(3S,6S,9R)-6-[(2R)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
Structure
SMILES: CC[C@@H](C)[C@@H]1N=C(O)[C@H](N=C(O)N[C@H](C(=O)O)[C@H](C)CC)CCCCN=C(O)[C@H](CCC2=CC=C(O)C=C2)N=C1O
InChI: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18-,21-,22+,23+,24+/m1/s1
InChIKey: BEGARHAEPVBWAE-XKTNGNEZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Sphaerospermopsis | Aphanizomenonaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
| Sphaerospermopsis torques-reginae | Sphaerospermopsis | Aphanizomenonaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 575.7070000000004
TPSA？: 199.92
MolLogP？: 4.533000000000003
Number of H-Donors: 7
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Carboxypeptidase A1 | IC50 | 750.0 | nM | 10.1021/acs.jnatprod.7b00370 |
| Homo sapiens | Chymotrypsin C | Inhibition | nan | % | 10.1021/acs.jnatprod.7b00370 |