22'-Deoxythiocoraline
AlkaPlorer ID: AK054017
Synonym: None
IUPAC Name: 3-hydroxy-N-[(1R,7S,14R,20S,24S)-2,12,15,25-tetramethyl-11,24-bis(methylsulfanylmethyl)-3,6,10,13,16,19,23,26-octaoxo-20-(quinoline-2-carbonylamino)-9,22,28,29-tetrathia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoline-2-carboxamide
Structure
SMILES: CSCC1C(=O)SC[C@@H](NC(=O)C2=NC3=CC=CC=C3C=C2O)C(O)=NCC(=O)N(C)[C@H]2CSSC[C@@H](C(=O)N1C)N(C)C(=O)CN=C(O)[C@H](NC(=O)C1=CC=C3C=CC=CC3=N1)CSC(=O)[C@H](CSC)N(C)C2=O
InChI: InChI=1S/C48H56N10O11S6/c1-55-33-24-74-75-25-34(45(66)57(3)35(22-70-5)47(68)72-20-31(41(62)49-18-38(55)60)53-43(64)30-16-15-26-11-7-9-13-28(26)51-30)56(2)39(61)19-50-42(63)32(21-73-48(69)36(23-71-6)58(4)46(33)67)54-44(65)40-37(59)17-27-12-8-10-14-29(27)52-40/h7-17,31-36,59H,18-25H2,1-6H3,(H,49,62)(H,50,63)(H,53,64)(H,54,65)/t31-,32-,33+,34+,35+,36?/m1/s1
InChIKey: GEWULIBICXBUCB-SQWNXXRCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Verrucosispora sp. | Micromonospora | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1141.4369999999997
TPSA？: 284.77
MolLogP？: 3.260800000000006
Number of H-Donors: 5
Number of H-Acceptors: 19
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|