None
AlkaPlorer ID: AK324180
Synonym: None
IUPAC Name: 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]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)O)C(C)C
InChI: InChI=1S/C30H55N7O9/c1-15(2)9-19(31)26(42)34-21(11-17(5)6)29(45)36-22(14-38)28(44)32-12-23(39)37-25(18(7)8)30(46)35-20(10-16(3)4)27(43)33-13-24(40)41/h15-22,25,38H,9-14,31H2,1-8H3,(H,32,44)(H,33,43)(H,34,42)(H,35,46)(H,36,45)(H,37,39)(H,40,41)/t19-,20+,21+,22-,25-/m0/s1
InChIKey: GIWNWOJVVNFYGT-MNCJVYIZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Whitmania pigra | Whitmania | Haemopidae | Hirudinida | Clitellata | Annelida | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 657.8100000000002
TPSA？: 279.0899999999999
MolLogP？: 3.398300000000007
Number of H-Donors: 9
Number of H-Acceptors: 9
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | N2a | Activity | 79.0 | % | 10.1021/acs.jnatprod.9b00322 |
| None | ADMET | Stability | 65.0 | % | 10.1021/acs.jnatprod.9b00322 |