Cicadapeptin Ii
AlkaPlorer ID: AK037348
Synonym: None
IUPAC Name: (2S)-N-[1-[[(2S,3S)-1-[[(2S)-1-amino-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-[[2-[[(2S)-2-[[(2S,4R)-1-[(2S,4R)-1-decanoyl-4-hydroxypyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]pentanediamide
Structure
SMILES: CCCCCCCCCC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(O)=N[C@H](C(O)=NC(C)(C)C(O)=N[C@@H](CCC(=N)O)C(O)=NC(C)(C)C(O)=N[C@H](C(O)=N[C@H](CN)CC(C)C)[C@@H](C)CC)C(C)C
InChI: InChI=1S/C50H90N10O11/c1-12-14-15-16-17-18-19-20-39(64)59-27-34(62)25-37(59)46(69)60-28-33(61)24-36(60)43(66)55-40(30(5)6)45(68)58-49(8,9)47(70)54-35(21-22-38(52)63)42(65)57-50(10,11)48(71)56-41(31(7)13-2)44(67)53-32(26-51)23-29(3)4/h29-37,40-41,61-62H,12-28,51H2,1-11H3,(H2,52,63)(H,53,67)(H,54,70)(H,55,66)(H,56,71)(H,57,65)(H,58,68)/t31-,32-,33+,34+,35-,36-,37-,40-,41-/m0/s1
InChIKey: XARWTRNVQZILGP-AACUSYOXSA-N
Reference
PubChem CID: 11205390
LOTUS: LTS0121556
SuperNatural Ⅲ: SN0425076-01
NPASS: NPC241394
{NPAtlas: NPA001803
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Heteropoda | Sparassidae | Araneae | Arachnida | Arthropoda | Metazoa | Eukaryota |
| None | Cordyceps | Cordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1007.3289999999996
TPSA？: 346.72
MolLogP？: 6.843670000000015
Number of H-Donors: 11
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus cereus | Bacillus cereus | IZ | 12.0 | mm | 10.1021/np0497189 |
| Bacillus subtilis | Bacillus subtilis | IZ | 11.0 | mm | 10.1021/np0497189 |
| Escherichia coli | Escherichia coli | IZ | 16.0 | mm | 10.1021/np0497189 |