DiaPep 277 (CHEM129891)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-14 16:19:22 UTC | ||||||||
| Update Date | 2026-05-14 18:22:37 UTC | ||||||||
| Accession Number | CHEM129891 | ||||||||
| Identification | |||||||||
| Common Name | DiaPep 277 | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C106H180N28O34 | ||||||||
| Average Molecular Mass | 2390.768 g/mol | ||||||||
| Monoisotopic Mass | 2389.322 g/mol | ||||||||
| CAS Registry Number | 179822-83-4 | ||||||||
| IUPAC Name | (2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-({[(2S)-1-[(2S,3R)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-({[(2S)-1-[(2S,3S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-{[2-({2-[(2-{[(2S)-2-{[(2S)-2-amino-1-hydroxy-3-methylbutylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-1-hydroxyethylidene)amino]-1-hydroxyethylidene}amino)-1-hydroxyethylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-1-hydroxypropylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-3-methylpentanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxypropylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-3-carboxy-1-hydroxypropylidene]amino}-1,3-dihydroxypropylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-3-hydroxybutanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxypropylidene]amino}-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene]amino}-4-carboxy-1-hydroxybutylidene]amino}butanedioic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H][C@](C)(O)[C@]([H])(N=C(O)[C@]([H])(CC(C)C)N=C(O)[C@]([H])(CO)N=C(O)[C@]([H])(CC(O)=O)N=C(O)[C@]([H])(CC(C)C)N=C(O)[C@]([H])(C)N=C(O)[C@]1([H])CCCN1C(=O)[C@@]([H])(N=C(O)[C@@]([H])(N=C(O)[C@]([H])(CCCNC(N)=N)N=C(O)[C@]([H])(CC(C)C)N=C(O)[C@]([H])(CC(C)C)N=C(O)[C@]([H])(C)N=C(O)[C@@]([H])(N=C(O)CN=C(O)CN=C(O)CN=C(O)[C@]([H])(CC(C)C)N=C(O)[C@@]([H])(N)C(C)C)C(C)C)C(C)C)[C@@]([H])(C)CC)C(=O)N1CCC[C@@]1([H])C(O)=N[C@@]([H])(C)C(O)=N[C@@]([H])(CC(O)=N)C(O)=N[C@@]([H])(CCC(O)=O)C(O)=N[C@@]([H])(CC(O)=O)C(O)=O | ||||||||
| InChI Identifier | InChI=1S/C106H180N28O34/c1-23-55(18)83(131-102(164)82(54(16)17)130-90(152)60(27-24-32-111-106(109)110)118-91(153)65(38-50(8)9)123-92(154)63(36-48(4)5)121-87(149)58(21)117-101(163)81(53(14)15)129-76(140)45-113-74(138)43-112-75(139)44-114-88(150)62(35-47(2)3)126-100(162)80(108)52(12)13)103(165)133-33-25-28-71(133)98(160)115-56(19)85(147)120-64(37-49(6)7)93(155)125-68(41-78(143)144)95(157)128-70(46-135)97(159)124-66(39-51(10)11)96(158)132-84(59(22)136)104(166)134-34-26-29-72(134)99(161)116-57(20)86(148)122-67(40-73(107)137)94(156)119-61(30-31-77(141)142)89(151)127-69(105(167)168)42-79(145)146/h47-72,80-84,135-136H,23-46,108H2,1-22H3,(H2,107,137)(H,112,139)(H,113,138)(H,114,150)(H,115,160)(H,116,161)(H,117,163)(H,118,153)(H,119,156)(H,120,147)(H,121,149)(H,122,148)(H,123,154)(H,124,159)(H,125,155)(H,126,162)(H,127,151)(H,128,157)(H,129,140)(H,130,152)(H,131,164)(H,132,158)(H,141,142)(H,143,144)(H,145,146)(H,167,168)(H4,109,110,111)/t55-,56-,57-,58-,59+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,80-,81-,82-,83-,84-/m0/s1 | ||||||||
| InChI Key | VGGRNGOEDNBLPH-YJHCMWSWSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
