2-[(E)-[(1-{2-[(E)-({1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl}(hydroxy)methylidene)amino]-4-(C-hydroxycarbonimidoyl)butanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino]-4-(C-hydroxycarbonimidoyl)butanoic acid
AlkaPlorer ID: AK083404
Synonym: None
IUPAC Name: 5-amino-2-[[1-[5-amino-2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
Structure
SMILES: N=C(O)CCC(N=C(O)C1CCCN1C(=O)C(CCC(=N)O)N=C(O)C1CCCN1C(=O)C(N)CC1=CC=C(O)C=C1)C(=O)O
InChI: InChI=1S/C29H41N7O9/c30-18(15-16-5-7-17(37)8-6-16)27(42)35-13-1-3-21(35)25(40)33-19(9-11-23(31)38)28(43)36-14-2-4-22(36)26(41)34-20(29(44)45)10-12-24(32)39/h5-8,18-22,37H,1-4,9-15,30H2,(H2,31,38)(H2,32,39)(H,33,40)(H,34,41)(H,44,45)
InChIKey: HZWWPUTXBJEENE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Centipeda minima | Centipeda | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Fagopyrum esculentum | Fagopyrum | Polygonaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 631.6870000000005
TPSA？: 277.51
MolLogP？: 1.6097400000000035
Number of H-Donors: 9
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|