Rhabdoplanin A
AlkaPlorer ID: AK326619
Synonym: None
IUPAC Name: (2R)-2-[[(2S)-1-[2-[4-[(2S,3R,4S,5R,6R)-5-acetamido-3,4-dihydroxy-6-methyloxan-2-yl]oxyphenyl]ethenylamino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]amino]-3-phenyl-N-(2-phenylethyl)propanamide
Structure
SMILES: CC(O)=N[C@@H]1[C@H](O)[C@@H](O)[C@H](OC2=CC=C(C=CN=C(O)[C@H](CC3=CN(C)C4=CC=CC=C34)N[C@H](CC3=CC=CC=C3)C(O)=NCCC3=CC=CC=C3)C=C2)O[C@@H]1C
InChI: InChI=1S/C45H51N5O7/c1-29-40(48-30(2)51)41(52)42(53)45(56-29)57-35-20-18-32(19-21-35)23-25-47-44(55)38(27-34-28-50(3)39-17-11-10-16-36(34)39)49-37(26-33-14-8-5-9-15-33)43(54)46-24-22-31-12-6-4-7-13-31/h4-21,23,25,28-29,37-38,40-42,45,49,52-53H,22,24,26-27H2,1-3H3,(H,46,54)(H,47,55)(H,48,51)/t29-,37-,38+,40+,41+,42-,45+/m1/s1
InChIKey: CZCBGVSDAAGXFI-GYHVRWMKSA-N
Reference
An Ugi-like Biosynthetic Pathway Encodes Bombesin Receptor Subtype-3 Agonists
PubChem CID: 146682093
LOTUS: LTS0242607
{NPAtlas: NPA025604
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xenorhabdus bovienii | Xenorhabdus | Morganellaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 773.9310000000002
TPSA？: 173.65
MolLogP？: 6.307300000000006
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|