Namalide C
AlkaPlorer ID: AK109470
Synonym: None
IUPAC Name: (2S,3R)-2-[[(3S,6S,9R)-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-6-propan-2-yl-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
Structure
SMILES: CC[C@@H](C)[C@H](NC(O)=N[C@@H]1CCCCN=C(O)[C@H](CCC2=CC=C(O)C=C2)N=C(O)[C@H](C(C)C)N=C1O)C(=O)O
InChI: InChI=1S/C28H43N5O7/c1-5-17(4)23(27(38)39)33-28(40)31-20-8-6-7-15-29-24(35)21(14-11-18-9-12-19(34)13-10-18)30-26(37)22(16(2)3)32-25(20)36/h9-10,12-13,16-17,20-23,34H,5-8,11,14-15H2,1-4H3,(H,29,35)(H,30,37)(H,32,36)(H,38,39)(H2,31,33,40)/t17-,20-,21+,22+,23+/m1/s1
InChIKey: VYCMKIJKBUVUBL-KJWUJUMESA-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: 561.6800000000003
TPSA？: 199.92
MolLogP？: 4.142900000000002
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 | 2000.0 | nM | 10.1021/acs.jnatprod.7b00370 |
| Homo sapiens | Chymotrypsin C | Inhibition | nan | % | 10.1021/acs.jnatprod.7b00370 |