(E)-3-hydroxy-N-{2-hydroxy-1-[(E)-{2-[(Z)-(1-methoxy-1-oxobutan-2-yl)-C-hydroxycarbonimidoyl]-1-phenylethyl}-C-hydroxycarbonimidoyl]ethyl}-2-[(1H-pyrrol-2-yl)formamido]butanimidic acid
AlkaPlorer ID: AK073427
Synonym: None
IUPAC Name: methyl (2S)-2-[[3-[[(2S)-3-hydroxy-2-[[(2S,3S)-3-hydroxy-2-(1H-pyrrole-2-carbonylamino)butanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]butanoate
Structure
SMILES: CC[C@H](N=C(O)CC(N=C(O)[C@H](CO)N=C(O)[C@@H](NC(=O)C1=CC=CN1)[C@H](C)O)C1=CC=CC=C1)C(=O)OC
InChI: InChI=1S/C26H35N5O8/c1-4-17(26(38)39-3)28-21(34)13-19(16-9-6-5-7-10-16)29-24(36)20(14-32)30-25(37)22(15(2)33)31-23(35)18-11-8-12-27-18/h5-12,15,17,19-20,22,27,32-33H,4,13-14H2,1-3H3,(H,28,34)(H,29,36)(H,30,37)(H,31,35)/t15-,17-,19?,20-,22-/m0/s1
InChIKey: BBGCHTRTEYZACR-XITXLXHCSA-N
Reference
Oligopeptides from Aster tataricus
PubChem CID: 101667552
LOTUS: LTS0228883
NPASS: NPC105707
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aster tataricus | Aster | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 545.5930000000002
TPSA？: 209.42
MolLogP？: 1.8073000000000008
Number of H-Donors: 7
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|