12′-sulfoxythiocoraline
AlkaPlorer ID: AK065760
Synonym: None
IUPAC Name: 3-hydroxy-N-[(1R,7S,11S,14R,20S,24S)-20-[(3-hydroxyquinoline-2-carbonyl)amino]-2,12,15,25-tetramethyl-11-(methylsulfanylmethyl)-24-(methylsulfinylmethyl)-3,6,10,13,16,19,23,26-octaoxo-9,22,28,29-tetrathia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoline-2-carboxamide
Structure
SMILES: CSC[C@H]1C(=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)CNC(=O)[C@H](NC(=O)C1=NC3=CC=CC=C3C=C1O)CSC(=O)[C@H](CS(C)=O)N(C)C2=O
InChI: InChI=1S/C48H56N10O13S6/c1-55-31-22-75-76-23-32(46(68)58(4)34(24-77(6)71)48(70)74-20-30(42(64)50-17-37(55)61)54-44(66)40-36(60)16-26-12-8-10-14-28(26)52-40)56(2)38(62)18-49-41(63)29(19-73-47(69)33(21-72-5)57(3)45(31)67)53-43(65)39-35(59)15-25-11-7-9-13-27(25)51-39/h7-16,29-34,59-60H,17-24H2,1-6H3,(H,49,63)(H,50,64)(H,53,65)(H,54,66)/t29-,30-,31+,32+,33+,34+,77?/m1/s1
InChIKey: XRYLVSUVRUMAJZ-YQSGVVGDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Verrucosispora sp. | Micromonospora | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1173.4349999999995
TPSA？: 315.09000000000003
MolLogP？: 0.3013000000000092
Number of H-Donors: 6
Number of H-Acceptors: 20
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|