None
AlkaPlorer ID: AK324185
Synonym: None
IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-methylbutanoic acid
Structure
SMILES: CC(C)C[C@H](N=C(O)[C@@H](N)CC(C)C)C(O)=N[C@@H](CO)C(O)=NCC(O)=N[C@H](C(=O)O)C(C)C
InChI: InChI=1S/C22H41N5O7/c1-11(2)7-14(23)19(30)25-15(8-12(3)4)21(32)26-16(10-28)20(31)24-9-17(29)27-18(13(5)6)22(33)34/h11-16,18,28H,7-10,23H2,1-6H3,(H,24,31)(H,25,30)(H,26,32)(H,27,29)(H,33,34)/t14-,15-,16-,18-/m0/s1
InChIKey: ZPKWIVLOQNMMLL-OVWQWFNUSA-N
Reference
Sulphur compounds from the aerial parts of Eclipta prostrata
PubChem CID: 155565425
NPASS: NPC486557
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Whitmania pigra | Whitmania | Haemopidae | Hirudinida | Clitellata | Annelida | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 487.5980000000002
TPSA？: 213.91
MolLogP？: 2.070600000000003
Number of H-Donors: 7
Number of H-Acceptors: 7
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | ADMET | Stability | None | % | 10.1021/acs.jnatprod.9b00322 |