Pseudotheonamide C
AlkaPlorer ID: AK016034
Synonym: ''
IUPAC Name: (2S)-N-[(8S,8aR)-3-amino-8a-hydroxy-1-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl]-1-[(2S)-3-[[(E,4S)-4-[[(2R)-2-amino-3-phenylpropanoyl]amino]-5-(4-hydroxyphenyl)pent-2-enoyl]amino]-2-formamidopropanoyl]pyrrolidine-2-carboxamide
Structure
SMILES: N=C1N=C(O)[C@]2(O)[C@@H](N=C(O)[C@@H]3CCCN3C(=O)[C@H](CN=C(O)/C=C/[C@H](CC3=CC=C(O)C=C3)N=C(O)[C@H](N)CC3=CC=CC=C3)N=CO)CCCN12
InChI: InChI=1S/C36H45N9O8/c37-26(19-22-6-2-1-3-7-22)31(49)41-24(18-23-10-13-25(47)14-11-23)12-15-30(48)39-20-27(40-21-46)33(51)44-16-4-8-28(44)32(50)42-29-9-5-17-45-35(38)43-34(52)36(29,45)53/h1-3,6-7,10-15,21,24,26-29,47,53H,4-5,8-9,16-20,37H2,(H,39,48)(H,40,46)(H,41,49)(H,42,50)(H2,38,43,52)/b15-12+/t24-,26-,27+,28+,29+,36-/m1/s1
InChIKey: BJQBVGSNOQNIAB-NEVWXIMJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Theonella swinhoei | Theonella | Theonellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 731.8109999999998
TPSA？: 276.83000000000004
MolLogP？: 2.302770000000004
Number of H-Donors: 9
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|