None
AlkaPlorer ID: AK435165
Synonym: None
IUPAC Name: (3S)-4-[[(4R,7S)-4-[N-[(2S,3R)-1-[2-[(2S)-1-[[(4S,7R,13R,16S,19R)-7-(4-aminobutyl)-16-(3-carbamimidamidopropyl)-6,9,12,15,18-pentahydroxy-4-(C-hydroxycarbonimidoyl)-13-(hydroxymethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosa-5,8,11,14,17-pentaen-19-yl]imino]-1,3-dihydroxypropan-2-yl]imino-2-hydroxyethyl]imino-1,3-dihydroxybutan-2-yl]-C-hydroxycarbonimidoyl]-6-hydroxy-3,4,7,8-tetrahydro-1,2,5-dithiazocin-7-yl]imino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(4R,7S,10R,16R,22R,25S)-25-amino-7,16,22-tris(4-aminobutyl)-6,9,12,15,18,21,24-heptahydroxy-10-methyl-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosa-5,8,11,14,17,20,23-heptaen-4-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-4-hydroxybutanoic acid
Structure
SMILES: CSCC[C@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CO)N=C(O)[C@@H]1CSSC[C@@H](N)C(O)=N[C@H](CCCCN)C(O)=NCC(O)=N[C@H](CCCCN)C(O)=NCC(O)=N[C@H](C)C(O)=N[C@@H](CCCCN)C(O)=N1)C(O)=N[C@@H](CC1=CC=C(O)C=C1)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H]1CSSC[C@@H](C(O)=N[C@H](C(O)=NCC(O)=N[C@@H](CO)C(O)=N[C@H]2CSSC[C@H](C(=N)O)N=C(O)[C@@H](CCCCN)N=C(O)CN=C(O)[C@@H](CO)N=C(O)[C@H](CCCNC(=N)N)N=C2O)[C@@H](C)O)N=C1O
InChI: InChI=1S/C102H172N36O32S7/c1-50(2)34-63(128-87(157)60(20-14-31-113-101(109)110)125-95(165)68(43-141)132-97(167)71-46-174-172-44-55(107)82(152)124-57(17-7-11-28-104)84(154)116-38-75(145)120-56(16-6-10-27-103)83(153)115-37-74(144)119-51(3)81(151)123-59(89(159)134-71)19-9-13-30-106)91(161)127-62(26-33-171-5)90(160)129-64(35-53-22-24-54(143)25-23-53)92(162)130-65(36-78(148)149)93(163)135-72-48-176-177-49-73(137-98(72)168)99(169)138-79(52(4)142)100(170)118-40-77(147)122-67(42-140)94(164)136-70-47-175-173-45-69(80(108)150)133-86(156)58(18-8-12-29-105)121-76(146)39-117-85(155)66(41-139)131-88(158)61(126-96(70)166)21-15-32-114-102(111)112/h22-25,50-52,55-73,79,139-143H,6-21,26-49,103-107H2,1-5H3,(H2,108,150)(H,115,153)(H,116,154)(H,117,155)(H,118,170)(H,119,144)(H,120,145)(H,121,146)(H,122,147)(H,123,151)(H,124,152)(H,125,165)(H,126,166)(H,127,161)(H,128,157)(H,129,160)(H,130,162)(H,131,158)(H,132,167)(H,133,156)(H,134,159)(H,135,163)(H,136,164)(H,137,168)(H,138,169)(H,148,149)(H4,109,110,113)(H4,111,112,114)/t51-,52-,55-,56-,57-,58-,59+,60+,61+,62+,63+,64+,65+,66-,67+,68+,69-,70+,71+,72-,73+,79+/m1/s1
InChIKey: KNJNGVKTAFTUFL-OCMUWRIYSA-N
Reference
Purification and sequence of a presynaptic peptide toxin from Conus geographus venom
PubChem CID: 44397297
LOTUS: LTS0086119
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Conus geographus | Conus | Conidae | Neogastropoda | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 2639.1869999999963
TPSA？: 1218.59
MolLogP？: 5.004309999999995
Number of H-Donors: 43
Number of H-Acceptors: 45
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|