(2S)-N-[(3R,4S,10S,13S,16S)-16-benzyl-3-ethyl-24-hydroxy-13-(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: AK119900
Synonym: None
IUPAC Name: (2S)-N-[(10S,13S,16S)-16-benzyl-3-ethyl-24-hydroxy-13-(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: CCC1CC2=CC(=CC=C2O)C(=O)CN=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]2CCCN2C(=O)C1N=C(O)[C@@H]1CCC(O)=N1
InChI: InChI=1S/C39H50N6O8/c1-4-24-19-26-20-25(12-14-31(26)46)32(47)21-40-35(49)29(18-23-9-6-5-7-10-23)42-37(51)28(17-22(2)3)43-38(52)30-11-8-16-45(30)39(53)34(24)44-36(50)27-13-15-33(48)41-27/h5-7,9-10,12,14,20,22,24,27-30,34,46H,4,8,11,13,15-19,21H2,1-3H3,(H,40,49)(H,41,48)(H,42,51)(H,43,52)(H,44,50)/t24?,27-,28-,29-,30-,34?/m0/s1
InChIKey: AJDZZZMMMKAKLQ-RPDZIHOMSA-N
Reference
Hibispeptin A, a novel cyclic peptide from Hibiscus syriacus
PubChem CID: 10818712
LOTUS: LTS0133685
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: 730.8629999999998
TPSA？: 220.56
MolLogP？: 5.487700000000005
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|