Fuscachelin B
AlkaPlorer ID: AK071056
Synonym: None
IUPAC Name: (2S)-2-[[2-[[2-[[(2R)-5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]acetyl]amino]acetyl]amino]-5-[[(2S)-2-[[2-[[2-[[(2R)-5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]-hydroxyamino]pentanoic acid
Structure
SMILES: N=C(N)NCCC[C@@H](N=C(O)C1=CC=CC(O)=C1O)C(O)=NCC(O)=NCC(O)=N[C@@H](CCCN(O)C(=O)[C@H](CO)N=C(O)CN=C(O)CN=C(O)[C@@H](CCCNC(=N)N)N=C(O)C1=CC=CC(O)=C1O)C(=O)O
InChI: InChI=1S/C42H61N15O17/c43-41(44)47-13-3-8-23(55-35(67)21-6-1-11-27(59)33(21)65)37(69)51-16-29(61)49-18-31(63)53-25(40(72)73)10-5-15-57(74)39(71)26(20-58)54-32(64)19-50-30(62)17-52-38(70)24(9-4-14-48-42(45)46)56-36(68)22-7-2-12-28(60)34(22)66/h1-2,6-7,11-12,23-26,58-60,65-66,74H,3-5,8-10,13-20H2,(H,49,61)(H,50,62)(H,51,69)(H,52,70)(H,53,63)(H,54,64)(H,55,67)(H,56,68)(H,72,73)(H4,43,44,47)(H4,45,46,48)/t23-,24-,25+,26+/m1/s1
InChIKey: RCJSTCNOAKCESX-XPGKHFPBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Thermobifida | Nocardiopsaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1048.0379999999998
TPSA？: 563.5100000000002
MolLogP？: -0.3667599999999918
Number of H-Donors: 21
Number of H-Acceptors: 18
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|