None
AlkaPlorer ID: AK322819
Synonym: None
IUPAC Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoic acid
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)[C@H](C)N=C(O)[C@@H](N=C(O)[C@H](CS)N=C(O)[C@@H](N=C(O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)[C@@H](C)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CS)C(O)=N[C@@H](CC(C)C)C(=O)O
InChI: InChI=1S/C58H103N15O14S3/c1-12-31(7)43(69-47(76)35(59)17-14-21-62-58(60)61)53(82)68-40(28-89)50(79)71-45(34(10)74)54(83)63-33(9)46(75)70-44(32(8)13-2)56(85)73-23-16-19-42(73)52(81)65-37(25-29(3)4)55(84)72-22-15-18-41(72)51(80)64-36(20-24-90-11)48(77)67-39(27-88)49(78)66-38(57(86)87)26-30(5)6/h29-45,74,88-89H,12-28,59H2,1-11H3,(H,63,83)(H,64,80)(H,65,81)(H,66,78)(H,67,77)(H,68,82)(H,69,76)(H,70,75)(H,71,79)(H,86,87)(H4,60,61,62)/t31-,32-,33-,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
InChIKey: SNFNXKNWQPVCLA-LMUKDHLDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hoplobatrachus occipitalis | Hoplobatrachus | Dicroglossidae | Anura | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1330.7539999999992
TPSA？: 479.38000000000017
MolLogP？: 5.767270000000014
Number of H-Donors: 17
Number of H-Acceptors: 18
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/acs.jnatprod.6b00494 |
| Mus musculus | Mus musculus | Activity | nan | None | 10.1021/acs.jnatprod.6b00494 |
| Priestia megaterium | Priestia megaterium | Activity | nan | None | 10.1021/acs.jnatprod.6b00494 |
| Rattus norvegicus | Rattus norvegicus | Activity | nan | None | 10.1021/acs.jnatprod.6b00494 |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1021/acs.jnatprod.6b00494 |
| None | Unchecked | Activity | 1.0 | 10'-6M | 10.1021/acs.jnatprod.6b00494 |
| None | Unchecked | Activity | 1.0 | 10'-7M | 10.1021/acs.jnatprod.6b00494 |
| None | Unchecked | Activity | 217.5 | % | 10.1021/acs.jnatprod.6b00494 |
| None | Unchecked | Activity | 233.0 | % | 10.1021/acs.jnatprod.6b00494 |
| None | Unchecked | Activity | nan | None | 10.1021/acs.jnatprod.6b00494 |