MALP-2 (CHEM135734)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-14 22:14:28 UTC | ||||||||
| Update Date | 2026-05-14 20:08:25 UTC | ||||||||
| Accession Number | CHEM135734 | ||||||||
| Identification | |||||||||
| Common Name | MALP-2 | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C99H167N19O30S | ||||||||
| Average Molecular Mass | 2135.590 g/mol | ||||||||
| Monoisotopic Mass | 2134.185 g/mol | ||||||||
| CAS Registry Number | 250718-44-6 | ||||||||
| IUPAC Name | (2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2R)-2-amino-3-{[(2R)-2,3-bis(hexadecanoyloxy)propyl]sulfanyl}propanamido]acetamido}-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-carboxypropanamido]-4-carboxybutanamido]-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-methylpentanamido]-3-hydroxypropanamido]-3-phenylpropanamido]hexanamido]-4-carboxybutanamido]hexanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(O)=O)OC(=O)CCCCCCCCCCCCCCC | ||||||||
| InChI Identifier | InChI=1S/C99H167N19O30S/c1-5-8-10-12-14-16-18-20-22-24-26-28-33-43-84(131)147-59-64(148-85(132)44-34-29-27-25-23-21-19-17-15-13-11-9-6-2)60-149-61-65(102)87(133)106-56-80(124)107-71(52-77(103)121)92(138)113-72(53-78(104)122)93(139)115-74(55-83(129)130)94(140)110-68(46-48-82(127)128)90(136)116-75(57-119)96(142)114-73(54-79(105)123)95(141)118-86(62(4)7-3)98(144)117-76(58-120)97(143)112-70(51-63-39-31-30-32-40-63)91(137)108-66(41-35-37-49-100)88(134)109-67(45-47-81(125)126)89(135)111-69(99(145)146)42-36-38-50-101/h30-32,39-40,62,64-76,86,119-120H,5-29,33-38,41-61,100-102H2,1-4H3,(H2,103,121)(H2,104,122)(H2,105,123)(H,106,133)(H,107,124)(H,108,137)(H,109,134)(H,110,140)(H,111,135)(H,112,143)(H,113,138)(H,114,142)(H,115,139)(H,116,136)(H,117,144)(H,118,141)(H,125,126)(H,127,128)(H,129,130)(H,145,146)/t62-,64+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,86-/m0/s1 | ||||||||
| InChI Key | DMWMUMWKGKGSNW-OPMCLZTFSA-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 | ||||||||
