JG002CPB
AlkaPlorer ID: AK122759
Synonym: None
IUPAC Name: (3S,6S,9S,12S,15S)-6-benzyl-3-[(4-hydroxyphenyl)methyl]-7,9-dimethyl-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone
Structure
SMILES: CC(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/C32H41N5O6/c1-19(2)27-30(41)33-20(3)31(42)36(4)26(18-21-9-6-5-7-10-21)29(40)34-24(17-22-12-14-23(38)15-13-22)32(43)37-16-8-11-25(37)28(39)35-27/h5-7,9-10,12-15,19-20,24-27,38H,8,11,16-18H2,1-4H3,(H,33,41)(H,34,40)(H,35,39)/t20-,24-,25-,26-,27-/m0/s1
InChIKey: UEGYUOKYESNXMM-KKASSDGMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus ochraceopetaliformis | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 591.7090000000001
TPSA？: 158.61999999999998
MolLogP？: 3.6602000000000015
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|