WBP-29479A1
AlkaPlorer ID: AK121905
Synonym: None
IUPAC Name: 3-[(2R,6S,9R,12S,18R,21S,24R,27S,30R,33R)-18-benzyl-9,24-bis[3-(diaminomethylideneamino)propyl]-12-(hydroxymethyl)-33-(1H-indol-3-ylmethyl)-17-methyl-2-(4-methylpentyl)-21-(2-methylpropyl)-4,7,10,13,16,19,22,25,28,31,34,39-dodecaoxo-6,30-di(propan-2-yl)-1-oxa-5,8,11,14,17,20,23,26,29,32,35-undecazacyclononatriacont-27-yl]propanoic acid
Structure
SMILES: CC(C)CCC[C@@H]1CC(O)=N[C@@H](C(C)C)C(O)=N[C@H](CCCNC(=N)N)C(O)=N[C@@H](CO)C(O)=NCC(=O)N(C)[C@H](CC2=CC=CC=C2)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](CCCNC(=N)N)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@H](C(C)C)C(O)=N[C@H](CC2=CNC3=CC=CC=C23)C(O)=NCCCC(=O)O1
InChI: InChI=1S/C72H112N18O16/c1-40(2)19-15-22-46-36-56(92)88-60(42(5)6)69(104)84-50(26-17-32-79-72(75)76)65(100)87-54(39-91)63(98)81-38-57(93)90(9)55(34-44-20-11-10-12-21-44)68(103)85-52(33-41(3)4)67(102)82-49(25-16-31-78-71(73)74)64(99)83-51(28-29-58(94)95)66(101)89-61(43(7)8)70(105)86-53(62(97)77-30-18-27-59(96)106-46)35-45-37-80-48-24-14-13-23-47(45)48/h10-14,20-21,23-24,37,40-43,46,49-55,60-61,80,91H,15-19,22,25-36,38-39H2,1-9H3,(H,77,97)(H,81,98)(H,82,102)(H,83,99)(H,84,104)(H,85,103)(H,86,105)(H,87,100)(H,88,92)(H,89,101)(H,94,95)(H4,73,74,78)(H4,75,76,79)/t46-,49-,50-,51+,52+,53-,54+,55-,60+,61-/m1/s1
InChIKey: JNEZSAFXDDDKDT-RRCXPIHTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lysobacter antibioticus | Lysobacter | Xanthomonadaceae | Xanthomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1485.798
TPSA？: 569.6300000000002
MolLogP？: 7.957640000000016
Number of H-Donors: 19
Number of H-Acceptors: 17
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|