(2S)-N-[(3R,4S,10S,13S,16S)-3-ethyl-24-hydroxy-13,16-bis(2-methylpropyl)-5,11,14,17,20-pentaoxo-6,12,15,18-tetraazatricyclo[19.3.1.0⁶,¹⁰]pentacosa-1(24),21(25),22-trien-4-yl]-5-oxopyrrolidine-2-carboxamide
AlkaPlorer ID: AK261397
Synonym: None
IUPAC Name: (2S)-N-[(3R,4S,10S,13S,16S)-3-ethyl-24-hydroxy-13,16-bis(2-methylpropyl)-5,11,14,17,20-pentaoxo-6,12,15,18-tetrazatricyclo[19.3.1.06,10]pentacosa-1(24),21(25),22-trien-4-yl]-5-oxopyrrolidine-2-carboxamide
Structure
SMILES: CC[C@@H]1CC2=CC(=CC=C2O)C(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]2CCCN2C(=O)[C@H]1N=C(O)[C@@H]1CCC(O)=N1
InChI: InChI=1S/C36H52N6O8/c1-6-21-16-23-17-22(9-11-28(23)43)29(44)18-37-32(46)25(14-19(2)3)39-34(48)26(15-20(4)5)40-35(49)27-8-7-13-42(27)36(50)31(21)41-33(47)24-10-12-30(45)38-24/h9,11,17,19-21,24-27,31,43H,6-8,10,12-16,18H2,1-5H3,(H,37,46)(H,38,45)(H,39,48)(H,40,49)(H,41,47)/t21-,24+,25+,26+,27+,31+/m1/s1
InChIKey: JUKVVIWIAJNXDN-BWXWYXARSA-N
Reference
Hibispeptin B, a novel cyclic peptide from Hibiscus syriacus
PubChem CID: 10676173
LOTUS: LTS0097413
SuperNatural Ⅲ: SN0175577-02
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hibiscus syriacus | Hibiscus | Malvaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 696.846
TPSA？: 220.56
MolLogP？: 5.291100000000005
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|