Namalide
AlkaPlorer ID: AK111306
Synonym: None
IUPAC Name: (2S)-2-[[(3S,6S,9R)-3-benzyl-6-[(2S)-butan-2-yl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-phenylpropanoic acid
Structure
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)CCCCNC(=O)[C@H](CC2=CC=CC=C2)NC1=O
InChI: InChI=1S/C31H41N5O6/c1-3-20(2)26-29(39)33-24(18-21-12-6-4-7-13-21)27(37)32-17-11-10-16-23(28(38)36-26)34-31(42)35-25(30(40)41)19-22-14-8-5-9-15-22/h4-9,12-15,20,23-26H,3,10-11,16-19H2,1-2H3,(H,32,37)(H,33,39)(H,36,38)(H,40,41)(H2,34,35,42)/t20-,23+,24-,25-,26-/m0/s1
InChIKey: RQGNHTKSTALCHU-SSKCBDBQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 579.6980000000003
TPSA？: 165.73000000000002
MolLogP？: 1.9086000000000023
Number of H-Donors: 6
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Carboxypeptidase A1 | IC50 | 250.0 | nM | 10.1021/jm201238p |
| Homo sapiens | Carboxypeptidase B2 isoform A | Inhibition | nan | % | 10.1021/jm201238p |
| None | Unchecked | Inhibition | nan | % | 10.1021/jm201238p |