[D-Asp³]MC‐YY (CHEM120589)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 08:34:08 UTC | ||||||||
| Update Date | 2026-05-21 08:45:02 UTC | ||||||||
| Accession Number | CHEM120589 | ||||||||
| Identification | |||||||||
| Common Name | [D-Asp³]MC‐YY | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C54H67N7O14 | ||||||||
| Average Molecular Mass | 1038.165 g/mol | ||||||||
| Monoisotopic Mass | 1037.475 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 8,15-bis(4-hydroxybenzyl)-18-((1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,19-trimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H][C@@](CC1=CC=CC=C1)(OC)[C@@H](C)C=C(/C)C=C[C@]1([H])NC(=O)[C@]([H])(CC2=CC=C(O)C=C2)NC(=O)C[C@@]([H])(NC(=O)[C@]([H])(CC2=CC=C(O)C=C2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@]([H])(NC(=O)[C@H]1C)C(O)=O)C(O)=O | ||||||||
| InChI Identifier | InChI=1S/C54H67N7O14/c1-30(25-31(2)45(75-7)28-35-11-9-8-10-12-35)13-22-40-32(3)48(66)58-41(53(71)72)23-24-47(65)61(6)34(5)50(68)55-33(4)49(67)59-43(27-37-16-20-39(63)21-17-37)52(70)60-44(54(73)74)29-46(64)56-42(51(69)57-40)26-36-14-18-38(62)19-15-36/h8-22,25,31-33,40-45,62-63H,5,23-24,26-29H2,1-4,6-7H3,(H,55,68)(H,56,64)(H,57,69)(H,58,66)(H,59,67)(H,60,70)(H,71,72)(H,73,74)/b22-13+,30-25+/t31-,32-,33+,40-,41+,42-,43-,44+,45-/m0/s1 | ||||||||
| InChI Key | OCYZRCVDCXSNRA-JFMOJRJTSA-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 | ||||||||
