Pseudotheonamide D
AlkaPlorer ID: AK016075
Synonym: ''
IUPAC Name: (2S)-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=C(O)[C@@H]1CCCN1C(=O)[C@H](CN=C(O)/C=C/[C@H](CC1=CC=C(O)C=C1)N=C(O)[C@H](N)CC1=CC=CC=C1)N=CO
InChI: InChI=1S/C29H36N6O6/c30-23(16-19-5-2-1-3-6-19)28(40)34-21(15-20-8-11-22(37)12-9-20)10-13-26(38)32-17-24(33-18-36)29(41)35-14-4-7-25(35)27(31)39/h1-3,5-6,8-13,18,21,23-25,37H,4,7,14-17,30H2,(H2,31,39)(H,32,38)(H,33,36)(H,34,40)/b13-10+/t21-,23-,24+,25+/m1/s1
InChIKey: RCIDYXROFLLKED-GBUQLMHESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Theonella swinhoei | Theonella | Theonellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 564.6430000000004
TPSA？: 208.41
MolLogP？: 2.823670000000001
Number of H-Donors: 7
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|