(2s,4s,5r,6r)-5-[[13-[3-[[(2r)-6-amino-2-[[(2r)-6-amino-2-[[(2r)-6-amino-2-[[(2r)-6-amino-2-[[(2r)-2-[[(2s)-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(hexadecanoylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene-5-carbonyl]amino]-2,4-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEM273241)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-26 17:10:14 UTC | ||||||||
| Update Date | 2026-08-26 17:10:14 UTC | ||||||||
| Accession Number | CHEM273241 | ||||||||
| Identification | |||||||||
| Common Name | (2s,4s,5r,6r)-5-[[13-[3-[[(2r)-6-amino-2-[[(2r)-6-amino-2-[[(2r)-6-amino-2-[[(2r)-6-amino-2-[[(2r)-2-[[(2s)-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(hexadecanoylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene-5-carbonyl]amino]-2,4-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM273241: (2s,4s,5r,6r)-5-[[13-[3-[[(2r)-6-amino-2-[[(2r)-6-amino-2-[[(2r)-6-amino-2-[[(2r)-6-amino-2-[[(2r)-2-[[(2s)-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(hexadecanoylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene-5-carbonyl]amino]-2,4-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
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| Synonyms | Not Available | ||||||||
| Chemical Formula | C109H188N16O22S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 2105.380 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (2s,4s,5r,6r)-5-[[13-[3-[[(2r)-6-amino-2-[[(2r)-6-amino-2-[[(2r)-6-amino-2-[[(2r)-6-amino-2-[[(2r)-2-[[(2s)-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(hexadecanoylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene-5-carbonyl]amino]-2,4-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCCCCCCCCCCC(=O)NC(CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCCC(=O)N1CC2=CC=CC=C2C3C(C4=CC=CC=C41)N(N=N3)C(=O)NC5C(CC(OC5C(C(CO)O)O)(C(=O)O)O)O | ||||||||
| InChI Identifier | InChI=1S/C109H188N16O22S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-63-92(130)115-88(78-148-77-80(146-95(133)65-42-39-36-33-30-27-24-21-18-15-12-9-6-3)76-145-94(132)64-41-38-35-32-29-26-23-20-17-14-11-8-5-2)106(140)120-87(74-126)105(139)119-86(61-50-54-70-113)104(138)118-85(60-49-53-69-112)103(137)117-84(59-48-52-68-111)102(136)116-83(58-47-51-67-110)101(135)114-71-66-93(131)124-73-79-55-43-44-56-81(79)96-98(82-57-45-46-62-89(82)124)125(123-122-96)108(143)121-97-90(128)72-109(144,107(141)142)147-100(97)99(134)91(129)75-127/h43-46,55-57,62,80,83-88,90-91,96-100,126-129,134,144H,4-42,47-54,58-61,63-78,110-113H2,1-3H3,(H,114,135)(H,115,130)(H,116,136)(H,117,137)(H,118,138)(H,119,139)(H,120,140)(H,121,143)(H,141,142)/t80?,83-,84-,85-,86-,87-,88-,90+,91-,96?,97-,98?,99-,100-,109+/m1/s1 | ||||||||
| InChI Key | HACHPVCYFLSKSB-UMJDSZQGSA-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 | ||||||||
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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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
