Antagonistic factor
AlkaPlorer ID: AK057942
Synonym: None
IUPAC Name: N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6R,9S,12S,17S,20S,23S)-9,20,23-tris(2-aminoethyl)-6-benzyl-17-[(1R)-1-hydroxyethyl]-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1-oxa-4,7,10,15,18,21-hexazacyclotricos-12-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide
Structure
SMILES: CCC(C)CCCCC(O)=N[C@@H](CCN)C(O)=N[C@H](C(O)=N[C@@H](CCN)C(O)=N[C@H]1CCN=C(O)[C@H]([C@@H](C)O)N=C(O)[C@H](CCN)N=C(O)[C@H](CCN)OC(=O)[C@H](CC(C)C)N=C(O)[C@@H](CC2=CC=CC=C2)N=C(O)[C@H](CCN)N=C1O)[C@@H](C)O
InChI: InChI=1S/C56H97N15O14/c1-7-32(4)13-11-12-16-44(74)63-36(17-23-57)50(78)71-46(34(6)73)55(83)67-38(19-25-59)47(75)65-40-22-28-62-54(82)45(33(5)72)70-51(79)39(20-26-60)66-53(81)43(21-27-61)85-56(84)42(29-31(2)3)69-52(80)41(30-35-14-9-8-10-15-35)68-48(76)37(18-24-58)64-49(40)77/h8-10,14-15,31-34,36-43,45-46,72-73H,7,11-13,16-30,57-61H2,1-6H3,(H,62,82)(H,63,74)(H,64,77)(H,65,75)(H,66,81)(H,67,83)(H,68,76)(H,69,80)(H,70,79)(H,71,78)/t32?,33-,34-,36+,37+,38+,39+,40+,41-,42+,43+,45+,46+/m1/s1
InChIKey: XQSWLVKQKZHBSA-BBZQIQDCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Paenibacillus sp. | Paenibacillus | Paenibacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1204.483
TPSA？: 522.7600000000001
MolLogP？: 3.5851999999999937
Number of H-Donors: 17
Number of H-Acceptors: 19
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|