(-)-(R)-8-(3S,9S,14aR)-9-benzyl-6,6-dimethyl-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl-3-oxooctan-2-yl acetate
AlkaPlorer ID: AK118398
Synonym: None
IUPAC Name: [(2R)-8-[(3S,9S,12R)-3-benzyl-6,6-dimethyl-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-9-yl]-3-oxooctan-2-yl] acetate
Structure
SMILES: CC(=O)O[C@H](C)C(=O)CCCCC[C@@H]1N=C(O)[C@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N=C(O)C(C)(C)N=C1O
InChI: InChI=1S/C30H42N4O7/c1-19(41-20(2)35)25(36)16-10-6-9-14-22-26(37)33-30(3,4)29(40)32-23(18-21-12-7-5-8-13-21)28(39)34-17-11-15-24(34)27(38)31-22/h5,7-8,12-13,19,22-24H,6,9-11,14-18H2,1-4H3,(H,31,38)(H,32,40)(H,33,37)/t19-,22+,23+,24-/m1/s1
InChIKey: DGYUADDUGZTHSO-QLBRKBSLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Peniophora sp. | Peniophora | Peniophoraceae | Russulales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 570.6870000000002
TPSA？: 161.45000000000002
MolLogP？: 4.090200000000003
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|