JG002CPA
AlkaPlorer ID: AK122756
Synonym: None
IUPAC Name: (3S,6S,9S,12S,15S)-6-benzyl-3-[(4-hydroxyphenyl)methyl]-7,9-dimethyl-12-(2-methylpropyl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone
Structure
SMILES: CC(C)C[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](C)N=C1O
InChI: InChI=1S/C33H43N5O6/c1-20(2)17-25-29(40)34-21(3)32(43)37(4)28(19-22-9-6-5-7-10-22)31(42)36-26(18-23-12-14-24(39)15-13-23)33(44)38-16-8-11-27(38)30(41)35-25/h5-7,9-10,12-15,20-21,25-28,39H,8,11,16-19H2,1-4H3,(H,34,40)(H,35,41)(H,36,42)/t21-,25-,26-,27-,28-/m0/s1
InChIKey: GIVLJWPIFFDBBC-OZDPOCAXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus ochraceopetaliformis | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 605.7360000000001
TPSA？: 158.61999999999998
MolLogP？: 4.050300000000004
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|