3-(2-{[(2E)-5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2Z,3E)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid
AlkaPlorer ID: AK448414
Synonym: None
IUPAC Name: 3-[2-[[5-[[(2R)-4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoic acid
Structure
SMILES: C=CC1=C(C)[C@@H](CC2=N/C(=C/C3=C(CCC(=O)O)C(C)=C(/C=C4/N=C(O)[C@@H](C)/C4=C\C)N3)C(CCC(=O)OC)=C2C)N=C1O
InChI: InChI=1S/C34H40N4O6/c1-8-21-20(6)33(42)38-28(21)15-26-18(4)23(10-12-31(39)40)29(36-26)16-30-24(11-13-32(41)44-7)19(5)25(35-30)14-27-17(3)22(9-2)34(43)37-27/h8-9,15-16,20,27,36H,2,10-14H2,1,3-7H3,(H,37,43)(H,38,42)(H,39,40)/b21-8+,28-15+,30-16+/t20-,27+/m0/s1
InChIKey: LRRIZWZXIPMAIM-OZVAXCLVSA-N
Reference
Novel tryptophan-derived dipeptides and bioactive metabolites from the sea hare Aplysia dactylomela
LOTUS: LTS0210658
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aplysia dactylomela | Aplysia | Aplysiidae | Aplysiida | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 600.7160000000001
TPSA？: 156.92999999999998
MolLogP？: 6.530220000000005
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|