Tripropeptin A
AlkaPlorer ID: AK041764
Synonym: '', 'Tripropeptin A'
IUPAC Name: (2R)-2-[(1R,7S,10S,13R,16S,21S,22S,25S,28R,32R)-25-[(S)-carboxy(hydroxy)methyl]-10-[3-(diaminomethylideneamino)propyl]-21-hydroxy-32-[(1R)-1-hydroxyethyl]-16-(hydroxymethyl)-28-(8-methylnonyl)-2,8,11,14,17,23,26,30,33-nonaoxo-27-oxa-3,9,12,15,18,24,31,34-octazatetracyclo[32.3.0.03,7.018,22]heptatriacontan-13-yl]-2-hydroxyacetic acid
Structure
SMILES: CC(C)CCCCCCC[C@@H]1CC(O)=N[C@H]([C@@H](C)O)C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H]2C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@H]([C@@H](O)C(=O)O)C(O)=N[C@@H](CO)C(=O)N2CC[C@H](O)[C@H]2C(O)=N[C@@H]([C@H](O)C(=O)O)C(=O)O1
InChI: InChI=1S/C49H79N11O19/c1-24(2)12-7-5-4-6-8-13-26-22-32(64)55-33(25(3)62)45(73)59-20-11-16-30(59)44(72)58-19-10-15-29(58)40(68)53-27(14-9-18-52-49(50)51)39(67)56-34(37(65)46(74)75)41(69)54-28(23-61)43(71)60-21-17-31(63)36(60)42(70)57-35(48(78)79-26)38(66)47(76)77/h24-31,33-38,61-63,65-66H,4-23H2,1-3H3,(H,53,68)(H,54,69)(H,55,64)(H,56,67)(H,57,70)(H,74,75)(H,76,77)(H4,50,51,52)/t25-,26-,27+,28+,29+,30-,31+,33-,34-,35+,36+,37-,38+/m1/s1
InChIKey: ZJFQULWBEYLWOH-OEKIIWJPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Xanthomonadaceae | Xanthomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1126.229
TPSA？: 487.83000000000015
MolLogP？: -1.2147300000000043
Number of H-Donors: 15
Number of H-Acceptors: 18
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|