None
AlkaPlorer ID: AK322831
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](CC1=CN=CN1)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](CCCNC(=N)N)N=C(O)CN=C(O)[C@H](C)N=C(O)[C@H](CC(=O)O)N=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(C)C)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(=N)O)C(C)C
InChI: InChI=1S/C119H201N35O32S/c1-20-63(12)94(116(184)136-68(17)100(168)139-77(40-42-88(159)160)105(173)141-75(37-28-31-46-122)108(176)150-91(60(6)7)97(125)165)152-107(175)72(35-26-29-44-120)137-87(158)57-131-102(170)78(43-48-187-19)140-99(167)67(16)134-109(177)81(51-71-55-128-58-132-71)144-101(169)69(18)135-114(182)93(62(10)11)151-112(180)79(49-59(4)5)145-106(174)76(39-41-84(124)155)142-103(171)73(38-32-47-129-119(126)127)138-86(157)56-130-98(166)66(15)133-110(178)82(52-89(161)162)146-104(172)74(36-27-30-45-121)143-117(185)95(64(13)21-2)154-118(186)96(65(14)22-3)153-113(181)83(53-90(163)164)147-111(179)80(50-70-33-24-23-25-34-70)148-115(183)92(61(8)9)149-85(156)54-123/h23-25,33-34,55,58-69,72-83,91-96H,20-22,26-32,35-54,56-57,120-123H2,1-19H3,(H2,124,155)(H2,125,165)(H,128,132)(H,130,166)(H,131,170)(H,133,178)(H,134,177)(H,135,182)(H,136,184)(H,137,158)(H,138,157)(H,139,168)(H,140,167)(H,141,173)(H,142,171)(H,143,185)(H,144,169)(H,145,174)(H,146,172)(H,147,179)(H,148,183)(H,149,156)(H,150,176)(H,151,180)(H,152,175)(H,153,181)(H,154,186)(H,159,160)(H,161,162)(H,163,164)(H4,126,127,129)/t63-,64-,65-,66-,67-,68-,69-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,91-,92-,93-,94-,95-,96-/m0/s1
InChIKey: DPKBPPUFXKMACO-UEZOEHMMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Leptodactylus pustulatus | Leptodactylus | Leptodactylidae | Anura | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 2666.1969999999965
TPSA?: 1176.8800000000003
MolLogP?: 13.51910999999997
Number of H-Donors: 39
Number of H-Acceptors: 36
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | MIC | 300000.0 | nM | 10.1021/np500907t |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 300000.0 | nM | 10.1021/np500907t |
| Salmonella enterica | Salmonella enterica | MIC | 300000.0 | nM | 10.1021/np500907t |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 300000.0 | nM | 10.1021/np500907t |
| None | ADMET | Activity | 4.05 | % | 10.1021/np500907t |
| None | ADMET | Activity | nan | None | 10.1021/np500907t |
