Rotihibin A
AlkaPlorer ID: AK024712
Synonym: 'Rotihibin A'
IUPAC Name: (2S,3S)-N'-[2-amino-4-[[(2S,3S)-2-amino-3-hydroxybutanoyl]amino]butanoyl]-N'-[(2S)-4-amino-1-hydroxy-4-oxobutan-2-yl]-3-[[(2S)-2-[[(2R)-5-(carbamoylamino)-2-[[(Z)-dec-2-enoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]-2-hydroxybutanediamide
Structure
SMILES: CCCCCCC/C=C\C(O)=N[C@H](CCCNC(=N)O)C(O)=N[C@@H](CO)C(O)=N[C@H](C(=O)N(C(=O)C(N)CCN=C(O)[C@@H](N)[C@H](C)O)[C@H](CO)CC(=N)O)[C@H](O)C(=N)O
InChI: InChI=1S/C35H63N11O13/c1-3-4-5-6-7-8-9-12-25(51)43-22(11-10-14-42-35(40)59)30(54)44-23(18-48)31(55)45-27(28(52)29(39)53)34(58)46(20(17-47)16-24(37)50)33(57)21(36)13-15-41-32(56)26(38)19(2)49/h9,12,19-23,26-28,47-49,52H,3-8,10-11,13-18,36,38H2,1-2H3,(H2,37,50)(H2,39,53)(H,41,56)(H,43,51)(H,44,54)(H,45,55)(H3,40,42,59)/b12-9-/t19-,20-,21?,22+,23-,26-,27-,28-/m0/s1
InChIKey: BWAAITPBWDKLCD-IGQYSGFQSA-N
Reference
Rotihibin A, a Novel Plant Growth Regulator, from<i>Streptomyces</i>sp.
PubChem CID: 6444251
CAS: 142689-34-7
LOTUS: LTS0131350
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces halstedii | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 845.953
TPSA？: 444.97000000000014
MolLogP？: -0.3470899999999953
Number of H-Donors: 17
Number of H-Acceptors: 15
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|