(2R)-3-[(3S,6S,9S,16S,21aS)-3-[(2S)-butan-2-yl]-6-isopropyl-5,8,9-trimethyl-1,4,7,10,14,17-hexaoxo-dodecahydropyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclononadecan-16-yl]-2-methylpropanoic acid
AlkaPlorer ID: AK044095
Synonym: None
IUPAC Name: (2R)-3-[(3S,10S,13S,16S,19S)-16-[(2S)-butan-2-yl]-10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl]-2-methylpropanoic acid
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@H](C[C@@H](C)C(=O)O)OC(=O)CCN=C(O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O
InChI: InChI=1S/C30H49N5O9/c1-9-17(4)23-28(40)34(8)24(16(2)3)29(41)33(7)19(6)25(37)31-13-12-22(36)44-21(15-18(5)30(42)43)27(39)35-14-10-11-20(35)26(38)32-23/h16-21,23-24H,9-15H2,1-8H3,(H,31,37)(H,32,38)(H,42,43)/t17-,18+,19-,20-,21-,23-,24-/m0/s1
InChIKey: WTVZRLMVNARECX-PRLAPGDWSA-N
Reference
Depsipeptides from Metarhizium anisopliae
PubChem CID: 162987439
LOTUS: LTS0210660
SuperNatural Ⅲ: SN0419863-12
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Metarhizium anisopliae | Metarhizium | Clavicipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 623.7480000000002
TPSA？: 189.71
MolLogP？: 2.061300000000005
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|