T987 A
AlkaPlorer ID: AK030730
Synonym: None
IUPAC Name: (3S,12S,15S,18S,21S)-12,18-dibenzyl-13,16-dimethyl-3-(2-methylpropyl)-15-propan-2-yl-4-oxa-1,10,13,16,19-pentazabicyclo[19.3.0]tetracosane-2,5,11,14,17,20-hexone
Structure
SMILES: CC(C)C[C@@H]1OC(=O)CCCCN=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/C41H57N5O7/c1-27(2)24-34-40(51)46-23-15-20-32(46)38(49)43-31(25-29-16-9-7-10-17-29)39(50)45(6)36(28(3)4)41(52)44(5)33(26-30-18-11-8-12-19-30)37(48)42-22-14-13-21-35(47)53-34/h7-12,16-19,27-28,31-34,36H,13-15,20-26H2,1-6H3,(H,42,48)(H,43,49)/t31-,32-,33-,34-,36-/m0/s1
InChIKey: LBIZSPIYLQJQFV-NRYNYGQJSA-N
Reference
Two Novel Cytotoxic Cyclodepsipeptides from a Mycoparasitic<i>Cladobotryum</i>sp.
PubChem CID: 10395171
LOTUS: LTS0276400
SuperNatural Ⅲ: SN0200938-01
{NPAtlas: NPA001325
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cladobotryum sp. | Cladobotryum | Hypocreaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 731.9349999999998
TPSA？: 152.41
MolLogP？: 5.196200000000005
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|