Herdmanine B
AlkaPlorer ID: AK092249
Synonym: 'herdmanine B', 'N2-(4-{(6-Hydroxy-1H-indol-3-yl)carbonyloxy}benzoyl)-D-arginine', '(2R)-5-(diaminomethylideneamino)-2-4-(6-hydroxy-1H-indole-3-carbonyl)oxybenzoylaminopentanoic acid'
IUPAC Name: (2R)-5-(diaminomethylideneamino)-2-[[4-(6-hydroxy-1H-indole-3-carbonyl)oxybenzoyl]amino]pentanoic acid
Structure
SMILES: N=C(N)NCCC[C@@H](NC(=O)C1=CC=C(OC(=O)C2=CNC3=CC(O)=CC=C23)C=C1)C(=O)O
InChI: InChI=1S/C22H23N5O6/c23-22(24)25-9-1-2-17(20(30)31)27-19(29)12-3-6-14(7-4-12)33-21(32)16-11-26-18-10-13(28)5-8-15(16)18/h3-8,10-11,17,26,28H,1-2,9H2,(H,27,29)(H,30,31)(H4,23,24,25)/t17-/m1/s1
InChIKey: KWPPWWBPUGGYLA-QGZVFWFLSA-N
Reference
Anti-inflammatory Amino Acid Derivatives from the Ascidian <i>Herdmania momus</i>
PubChem CID: 53493852
LOTUS: LTS0120024
NPASS: NPC281552
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Herdmania momus | Herdmania | Pyuridae | Stolidobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 453.45500000000015
TPSA？: 190.62
MolLogP？: 1.5389700000000006
Number of H-Donors: 7
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|