Vaby E
AlkaPlorer ID: AK321531
Synonym: None
IUPAC Name: 3-[a,46-bis(2-amino-2-oxoethyl)-13-benzyl-49-(3-carbamimidamidopropyl)-76-(carboxymethyl)-4,19,52,97-tetrakis(1-hydroxyethyl)-82-(hydroxymethyl)-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(CO)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/C126H184N36O41S6/c1-56(2)37-72-122(200)160-34-19-28-84(160)115(193)154-95(57(3)4)117(195)149-76-50-204-205-51-77-108(186)147-75(49-163)107(185)148-78-52-206-207-53-79(152-121(199)99(61(9)166)156-105(183)68(30-31-93(175)176)138-89(171)46-136-103(76)181)109(187)142-69(38-63-21-12-11-13-22-63)101(179)134-44-88(170)133-45-92(174)153-97(59(7)164)119(197)151-80(110(188)144-71(41-87(128)169)106(184)158-100(62(10)167)125(203)162-36-17-26-82(162)113(191)137-48-91(173)140-77)54-208-209-55-81(112(190)157-98(60(8)165)120(198)141-67(25-16-32-131-126(129)130)104(182)143-70(40-86(127)168)102(180)135-47-90(172)139-72)150-118(196)96(58(5)6)155-116(194)85-29-20-35-161(85)123(201)73(39-64-43-132-66-24-15-14-23-65(64)66)146-114(192)83-27-18-33-159(83)124(202)74(42-94(177)178)145-111(78)189/h11-15,21-24,43,56-62,67-85,95-100,132,163-167H,16-20,25-42,44-55H2,1-10H3,(H2,127,168)(H2,128,169)(H,133,170)(H,134,179)(H,135,180)(H,136,181)(H,137,191)(H,138,171)(H,139,172)(H,140,173)(H,141,198)(H,142,187)(H,143,182)(H,144,188)(H,145,189)(H,146,192)(H,147,186)(H,148,185)(H,149,195)(H,150,196)(H,151,197)(H,152,199)(H,153,174)(H,154,193)(H,155,194)(H,156,183)(H,157,190)(H,158,184)(H,175,176)(H,177,178)(H4,129,130,131)
InChIKey: FEQIWRDQTOAOES-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Viola abyssinica | Viola | Violaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 3051.4709999999936
TPSA？: 1177.4599999999998
MolLogP？: -15.895330000000042
Number of H-Donors: 39
Number of H-Acceptors: 46
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|