Kocurin
AlkaPlorer ID: AK080029
Synonym: None
IUPAC Name: None
Structure
SMILES: C=C(N=C(O)C(=C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](C)N=C(O)C(=C)N=C(O)C1=CSC(C2=CC=C3C4=NC(=C(C)O4)C(O)=N[C@@H](CC(=N)O)C4=NC(=CS4)C(O)=N[C@@H](CC4=CC=CC=C4)C4=N[C@@H](CS4)C(O)=N[C@@H](CC4=CC=C(O)C=C4)C(=O)N4CCC[C@H]4C4=NC(=CS4)C4=NC(=CS4)C3=N2)=N1)C(=N)O
InChI: InChI=1S/C69H66N18O13S5/c1-31(54(71)90)72-55(91)33(3)74-60(96)49-13-9-21-86(49)68(98)34(4)75-56(92)32(2)73-57(93)45-27-102-63(81-45)40-20-19-39-53(76-40)44-26-101-66(80-44)48-30-105-67(84-48)50-14-10-22-87(50)69(99)43(24-37-15-17-38(88)18-16-37)79-59(95)47-29-103-64(82-47)41(23-36-11-7-6-8-12-36)77-58(94)46-28-104-65(83-46)42(25-51(70)89)78-61(97)52-35(5)100-62(39)85-52/h6-8,11-12,15-20,26-28,30,34,41-43,47,49-50,88H,1-3,9-10,13-14,21-25,29H2,4-5H3,(H2,70,89)(H2,71,90)(H,72,91)(H,73,93)(H,74,96)(H,75,92)(H,77,94)(H,78,97)(H,79,95)/t34-,41-,42-,43-,47-,49-,50-/m0/s1
InChIKey: WWWYMYPACSXBTM-GVYUJTEBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Staphylococcus aureus | Staphylococcus | Staphylococcaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1515.7350000000004
TPSA？: 479.98
MolLogP？: 11.85355999999999
Number of H-Donors: 12
Number of H-Acceptors: 25
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|