None
AlkaPlorer ID: AK321533
Synonym: None
IUPAC Name: 3-[a,46-bis(2-amino-2-oxoethyl)-13-benzyl-49-(3-carbamimidamidopropyl)-76-(carboxymethyl)-4,19,52,82,97-pentakis(1-hydroxyethyl)-67-(1H-indol-3-ylmethyl)-40-(2-methylpropyl)-2a,3,6,9,12,15,18,21,24,27,30,33,39,42,45,48,51,54,57,60,66,69,75,78,81,84,87,90,96,99-triacontaoxo-31,58-di(propan-2-yl)-4a,5a,8a,9a,12a,13a-hexathia-1a,2,5,8,11,14,17,20,23,26,29,32,38,41,44,47,50,53,56,59,65,68,74,77,80,83,86,89,95,98-triacontazaoctacyclo[53.47.4.416,79.428,85.034,38.061,65.070,74.091,95]tetradecahectan-22-yl]propanoic acid
Structure
SMILES: CC(C)CC1NC(=O)CNC(=O)C(CC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)O)NC(=O)C2CSSCC3NC(=O)C(C(C)O)NC(=O)CNC(=O)CNC(=O)C(CC4=CC=CC=C4)NC(=O)C4CSSCC(NC(=O)C(C(C)O)NC(=O)C(CSSCC(NC(=O)C(C(C)C)NC(=O)C5CCCN5C1=O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)N4)NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)O)NC(=O)C(CC(N)=O)NC3=O)C(=O)NC(CC(=O)O)C(=O)N1CCCC1C(=O)NC(CC1=CNC3=CC=CC=C13)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)N2
InChI: InChI=1S/C127H186N36O41S6/c1-56(2)38-73-123(201)161-35-20-29-84(161)115(193)154-95(57(3)4)117(195)148-76-50-205-206-51-77-111(189)157-100(62(10)167)122(200)152-80-54-209-207-52-78(151-121(199)99(61(9)166)156-106(184)69(31-32-93(176)177)139-89(172)47-137-104(76)182)108(186)143-70(39-64-22-13-12-14-23-64)102(180)135-45-88(171)134-46-92(175)153-97(59(7)164)119(197)150-79(109(187)145-72(42-87(129)170)107(185)159-101(63(11)168)126(204)163-37-18-27-82(163)113(191)138-49-91(174)141-77)53-208-210-55-81(112(190)158-98(60(8)165)120(198)142-68(26-17-33-132-127(130)131)105(183)144-71(41-86(128)169)103(181)136-48-90(173)140-73)149-118(196)96(58(5)6)155-116(194)85-30-21-36-162(85)124(202)74(40-65-44-133-67-25-16-15-24-66(65)67)147-114(192)83-28-19-34-160(83)125(203)75(43-94(178)179)146-110(80)188/h12-16,22-25,44,56-63,68-85,95-101,133,164-168H,17-21,26-43,45-55H2,1-11H3,(H2,128,169)(H2,129,170)(H,134,171)(H,135,180)(H,136,181)(H,137,182)(H,138,191)(H,139,172)(H,140,173)(H,141,174)(H,142,198)(H,143,186)(H,144,183)(H,145,187)(H,146,188)(H,147,192)(H,148,195)(H,149,196)(H,150,197)(H,151,199)(H,152,200)(H,153,175)(H,154,193)(H,155,194)(H,156,184)(H,157,189)(H,158,190)(H,159,185)(H,176,177)(H,178,179)(H4,130,131,132)
InChIKey: FGHWTXMNNRWBCE-UHFFFAOYSA-N
Reference
PubChem CID: 139031579
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Viola abyssinica | Viola | Violaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 3065.497999999993
TPSA？: 1177.4599999999998
MolLogP？: -15.506830000000043
Number of H-Donors: 39
Number of H-Acceptors: 46
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|