None
AlkaPlorer ID: AK324181
Synonym: None
IUPAC Name: 2-[[2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid
Structure
SMILES: CC(C)C[C@H](N)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](CO)C(O)=NCC(O)=N[C@H](C(O)=N[C@H](CC(C)C)C(O)=NCC(O)=NCC(=O)O)C(C)C
InChI: InChI=1S/C32H58N8O10/c1-16(2)9-20(33)28(46)37-22(11-18(5)6)31(49)39-23(15-41)30(48)36-13-25(43)40-27(19(7)8)32(50)38-21(10-17(3)4)29(47)35-12-24(42)34-14-26(44)45/h16-23,27,41H,9-15,33H2,1-8H3,(H,34,42)(H,35,47)(H,36,48)(H,37,46)(H,38,50)(H,39,49)(H,40,43)(H,44,45)/t20-,21+,22+,23-,27-/m0/s1
InChIKey: BLVUJPBRIOFRCX-VMOFIQBBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Whitmania pigra | Whitmania | Haemopidae | Hirudinida | Clitellata | Annelida | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 714.8620000000001
TPSA？: 311.67999999999995
MolLogP？: 3.354800000000009
Number of H-Donors: 10
Number of H-Acceptors: 10
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | N2a | Activity | 82.0 | % | 10.1021/acs.jnatprod.9b00322 |
| None | ADMET | Stability | 65.0 | % | 10.1021/acs.jnatprod.9b00322 |