Chitinovorin D
AlkaPlorer ID: AK125918
Synonym: None
IUPAC Name: (6S,7S)-7-[[(5S)-5-amino-5-carboxypentanoyl]amino]-3-[[(3R,4S)-4-[[(2S)-2-[[(3S,4R)-4-[[(2S)-2-aminopropanoyl]amino]-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]amino]propanoyl]amino]-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Structure
SMILES: C[C@H](N)C(O)=N[C@H](CCCNC(=N)N)[C@@H](O)CC(O)=N[C@@H](C)C(O)=N[C@@H](CCCNC(=N)N)[C@H](O)CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@](N=CO)(N=C(O)CCC[C@H](N)C(=O)O)[C@@H]2SC1
InChI: InChI=1S/C37H62N14O14S/c1-17(38)29(58)48-21(7-4-10-44-35(40)41)23(53)12-26(56)47-18(2)30(59)49-22(8-5-11-45-36(42)43)24(54)13-27(57)65-14-19-15-66-34-37(46-16-52,33(64)51(34)28(19)32(62)63)50-25(55)9-3-6-20(39)31(60)61/h16-18,20-24,34,53-54H,3-15,38-39H2,1-2H3,(H,46,52)(H,47,56)(H,48,58)(H,49,59)(H,50,55)(H,60,61)(H,62,63)(H4,40,41,44)(H4,42,43,45)/t17-,18-,20-,21+,22-,23-,24+,34-,37-/m0/s1
InChIKey: GCPKIYOLMMZEDT-SXCIVQMSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Flavobacterium sp. | Flavobacterium | Flavobacteriaceae | Flavobacteriales | Flavobacteriia | Bacteroidota | None | Bacteria |
Properties Information
Molecule Weight: 959.0539999999996
TPSA？: 500.46
MolLogP？: -2.0243600000000006
Number of H-Donors: 17
Number of H-Acceptors: 17
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|