Thiochondrilline A
AlkaPlorer ID: AK061896
Synonym: None
IUPAC Name: methyl (2R)-2-[[(2R)-2-[[2-[[(2S)-2-[(3-hydroxyquinoline-2-carbonyl)amino]-3-methylsulfanylpropanoyl]amino]acetyl]-methylamino]-3-methylsulfanylpropanoyl]-methylamino]-3-methylsulfanylpropanoate
Structure
SMILES: COC(=O)[C@H](CSC)N(C)C(=O)[C@H](CSC)N(C)C(=O)CN=C(O)[C@@H](CSC)NC(=O)C1=NC2=CC=CC=C2C=C1O
InChI: InChI=1S/C27H37N5O7S3/c1-31(19(14-41-5)26(37)32(2)20(15-42-6)27(38)39-3)22(34)12-28-24(35)18(13-40-4)30-25(36)23-21(33)11-16-9-7-8-10-17(16)29-23/h7-11,18-20,33H,12-15H2,1-6H3,(H,28,35)(H,30,36)/t18-,19+,20+/m1/s1
InChIKey: FAHSFXZEUSTLEQ-AABGKKOBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Verrucosispora sp. | Micromonospora | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 639.8220000000002
TPSA？: 161.73
MolLogP？: 1.911300000000002
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|