T987 B
AlkaPlorer ID: AK045771
Synonym: None
IUPAC Name: (3S,11S,14S,17S,20S)-11,17-dibenzyl-12,15-dimethyl-3-(2-methylpropyl)-14-propan-2-yl-4-oxa-1,9,12,15,18-pentazabicyclo[18.3.0]tricosane-2,5,10,13,16,19-hexone
Structure
SMILES: CC(C)C[C@@H]1OC(=O)CCCN=C(O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C40H55N5O7/c1-26(2)23-33-39(50)45-22-14-19-31(45)37(48)42-30(24-28-15-9-7-10-16-28)38(49)44(6)35(27(3)4)40(51)43(5)32(25-29-17-11-8-12-18-29)36(47)41-21-13-20-34(46)52-33/h7-12,15-18,26-27,30-33,35H,13-14,19-25H2,1-6H3,(H,41,47)(H,42,48)/t30-,31-,32-,33-,35-/m0/s1
InChIKey: HCOTXJLNZFZNAB-DDRXXTSWSA-N
Reference
Two Novel Cytotoxic Cyclodepsipeptides from a Mycoparasitic<i>Cladobotryum</i>sp.
PubChem CID: 10876293
LOTUS: LTS0275070
SuperNatural Ⅲ: SN0121932-02
{NPAtlas: NPA014329
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cladobotryum sp. | Cladobotryum | Hypocreaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 717.9079999999999
TPSA？: 152.41
MolLogP？: 4.806100000000003
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|