2-[(E)-{2-[(E)-[(1-{2-[(E)-{2-[(E)-[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxypropylidene}amino]-4-methylpentanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene}amino]propanoic acid
AlkaPlorer ID: AK108611
Synonym: None
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoic acid
Structure
SMILES: CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CC1=CN=CN1)C(O)=N[C@@H](C)C(=O)O
InChI: InChI=1S/C32H46N8O8/c1-17(2)12-25(39-27(42)18(3)36-28(43)23(33)13-20-7-9-22(41)10-8-20)31(46)40-11-5-6-26(40)30(45)38-24(14-21-15-34-16-35-21)29(44)37-19(4)32(47)48/h7-10,15-19,23-26,41H,5-6,11-14,33H2,1-4H3,(H,34,35)(H,36,43)(H,37,44)(H,38,45)(H,39,42)(H,47,48)/t18-,19-,23-,24-,25-,26-/m0/s1
InChIKey: KHUGCVPFJKGJAB-AEVZMIFCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhodiola semenovii | Rhodiola | Crassulaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Gonospermum fruticosum | Gonospermum | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 670.7680000000003
TPSA？: 262.9
MolLogP？: 2.689700000000004
Number of H-Donors: 8
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|