None
AlkaPlorer ID: AK322826
Synonym: None
IUPAC Name: None
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)[C@H](CCCCN)N=C(O)CN=C(O)[C@H](CCSC)N=C(O)[C@H](C)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](C)N=C(O)[C@@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CCCCN)N=C(O)CN=C(O)[C@H](C)N=C(O)CN=C(O)[C@H](CCCCN)N=C(O)[C@@H](N=C(O)[C@@H](N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)[C@@H](N=C(O)CN)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CCCCN)C(O)=N[C@H](C(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CC(=O)O)C(O)=NCC(O)=N[C@@H](CC(=N)O)C(=O)O)C(C)C
InChI: InChI=1S/C146H251N43O42S/c1-22-77(13)116(141(226)167-84(20)123(208)173-93(49-51-111(199)200)130(215)175-90(46-33-38-57-151)133(218)185-114(75(9)10)139(224)163-72-109(197)170-95(60-73(5)6)134(219)180-98(63-103(154)191)136(221)176-89(45-32-37-56-150)129(214)181-99(65-112(201)202)126(211)162-71-110(198)171-101(145(230)231)64-104(155)192)186-132(217)88(44-31-36-55-149)169-108(196)70-161-125(210)94(52-59-232-21)174-121(206)82(18)165-127(212)91(47-39-58-158-146(156)157)172-122(207)83(19)166-142(227)117(78(14)23-2)187-137(222)96(61-74(7)8)179-131(216)92(48-50-102(153)190)177-128(213)87(43-30-35-54-148)168-107(195)69-159-120(205)81(17)164-106(194)68-160-124(209)86(42-29-34-53-147)178-143(228)118(79(15)24-3)189-144(229)119(80(16)25-4)188-138(223)100(66-113(203)204)182-135(220)97(62-85-40-27-26-28-41-85)183-140(225)115(76(11)12)184-105(193)67-152/h26-28,40-41,73-84,86-101,114-119H,22-25,29-39,42-72,147-152H2,1-21H3,(H2,153,190)(H2,154,191)(H2,155,192)(H,159,205)(H,160,209)(H,161,210)(H,162,211)(H,163,224)(H,164,194)(H,165,212)(H,166,227)(H,167,226)(H,168,195)(H,169,196)(H,170,197)(H,171,198)(H,172,207)(H,173,208)(H,174,206)(H,175,215)(H,176,221)(H,177,213)(H,178,228)(H,179,216)(H,180,219)(H,181,214)(H,182,220)(H,183,225)(H,184,193)(H,185,218)(H,186,217)(H,187,222)(H,188,223)(H,189,229)(H,199,200)(H,201,202)(H,203,204)(H,230,231)(H4,156,157,158)/t77-,78-,79-,80-,81-,82-,83-,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,114-,115-,116-,117-,118-,119-/m0/s1
InChIKey: COBQZEJNDMEFGS-LMHTZXMMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Leptodactylus pustulatus | Leptodactylus | Leptodactylidae | Anura | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 3312.939999999991
TPSA？: 1509.7499999999998
MolLogP？: 15.817479999999978
Number of H-Donors: 50
Number of H-Acceptors: 46
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | MIC | 60000.0 | nM | 10.1021/np500907t |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 240000.0 | nM | 10.1021/np500907t |
| Salmonella enterica | Salmonella enterica | MIC | 240000.0 | nM | 10.1021/np500907t |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 240000.0 | nM | 10.1021/np500907t |
| None | ADMET | Activity | 0.0 | % | 10.1021/np500907t |
| None | ADMET | Activity | 8.09 | % | 10.1021/np500907t |
| None | ADMET | Activity | nan | None | 10.1021/np500907t |