[D‐Asp³]MC‐Y(OMe)R (CHEM120645)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 08:37:59 UTC | ||||||||
| Update Date | 2026-05-21 08:49:08 UTC | ||||||||
| Accession Number | CHEM120645 | ||||||||
| Identification | |||||||||
| Common Name | [D‐Asp³]MC‐Y(OMe)R | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C52H72N10O14 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1060.523 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 10-(3-((diaminomethylene)amino)propyl)-3-(4-hydroxybenzyl)-13-((1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-14,21,25-trimethyl-22-methylene-4,8,11,15,20,23,26-heptaoxo-1-oxa-2,5,9,12,16,21,24-heptaazacycloheptacosane-6,17-dicarboxylic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C52H72N10O14/c1-28(23-29(2)41(75-7)25-33-13-10-9-11-14-33)16-18-35-30(3)45(66)59-37(50(71)72)19-21-44(65)62(6)32(5)47(68)56-31(4)46(67)60-38(24-34-17-20-40(63)42(26-34)76-8)49(70)61-39(51(73)74)27-43(64)57-36(48(69)58-35)15-12-22-55-52(53)54/h9-11,13-14,16-18,20,23,26,29-31,35-39,41,63H,5,12,15,19,21-22,24-25,27H2,1-4,6-8H3,(H,56,68)(H,57,64)(H,58,69)(H,59,66)(H,60,67)(H,61,70)(H,71,72)(H,73,74)(H4,53,54,55)/b18-16+,28-23+/t29-,30-,31+,35-,36-,37+,38-,39+,41-/m0/s1 | ||||||||
| InChI Key | OTKAUTRTWSXHHC-QRQIOJMRSA-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 | ||||||||
