Ahpatinin Ac
AlkaPlorer ID: AK012151
Synonym: None
IUPAC Name: (3S,4S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoyl]amino]-3-hydroxy-5-phenylpentanoic acid
Structure
SMILES: CC(O)=N[C@H](C(O)=N[C@H](C(O)=N[C@@H](CC(C)C)[C@@H](O)CC(O)=N[C@@H](C)C(O)=N[C@@H](CC1=CC=CC=C1)[C@@H](O)CC(=O)O)C(C)C)C(C)C
InChI: InChI=1S/C34H55N5O9/c1-18(2)14-24(38-33(47)31(20(5)6)39-34(48)30(19(3)4)36-22(8)40)26(41)16-28(43)35-21(7)32(46)37-25(27(42)17-29(44)45)15-23-12-10-9-11-13-23/h9-13,18-21,24-27,30-31,41-42H,14-17H2,1-8H3,(H,35,43)(H,36,40)(H,37,46)(H,38,47)(H,39,48)(H,44,45)/t21-,24-,25-,26-,27-,30-,31-/m0/s1
InChIKey: MANPMNTVYKVAEV-DZBYZWQYSA-N
Reference
Lower Homologues of Ahpatinin, Aspartic Protease Inhibitors, from a Marine <i>Streptomyces</i> sp.
PubChem CID: 118707670
LOTUS: LTS0042775
NPASS: NPC478014
{NPAtlas: NPA012539
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 677.8400000000001
TPSA？: 240.71
MolLogP？: 4.839100000000003
Number of H-Donors: 8
Number of H-Acceptors: 8
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Cathepsin B | IC50 | 15000.0 | nM | 10.1021/np500337m |
| None | Unchecked | IC50 | 11.0 | nM | 10.1021/np500337m |