Cicadapeptin I
AlkaPlorer ID: AK041563
Synonym: None
IUPAC Name: (2S)-N-[1-[[(2S)-1-[[(2S)-1-amino-4-methylpentan-2-yl]amino]-4-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](CC(C)C)C(O)=N[C@H](CN)CC(C)C)C(C)C
InChI: InChI=1S/C50H90N10O11/c1-12-13-14-15-16-17-18-19-40(64)59-27-34(62)25-38(59)46(69)60-28-33(61)24-37(60)44(67)56-41(31(6)7)45(68)58-50(10,11)47(70)54-35(20-21-39(52)63)43(66)57-49(8,9)48(71)55-36(23-30(4)5)42(65)53-32(26-51)22-29(2)3/h29-38,41,61-62H,12-28,51H2,1-11H3,(H2,52,63)(H,53,65)(H,54,70)(H,55,71)(H,56,67)(H,57,66)(H,58,68)/t32-,33+,34+,35-,36-,37-,38-,41-/m0/s1
InChIKey: NVJOHXLMVTYSFU-DSBHZGLUSA-N
Reference
PubChem CID: 11400450
LOTUS: LTS0091935
SuperNatural Ⅲ: SN0256296-01
NPASS: NPC128303
{NPAtlas: NPA008995
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 | 13.0 | mm | 10.1021/np0497189 |
| Bacillus subtilis | Bacillus subtilis | IZ | 13.0 | mm | 10.1021/np0497189 |
| Escherichia coli | Escherichia coli | IZ | 16.0 | mm | 10.1021/np0497189 |