(4s)-4-[[2-[[2-[[(2s)-1-[2-[[(2s)-5-amino-2-[[(2s)-6-amino-2-[[(2s)-6-amino-2-[[2-[[2-[[(2s)-2-[[(2s)-2-[[2-[[2-[[2-[[2-[[(2s)-1-[2-[[(2s)-5-amino-2-[[2-[[2-[[(2s)-4-methyl-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]acetyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]-5-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[2-[[(2s)-1-[[2-[[2-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid (CHEM282379)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-27 22:40:51 UTC | ||||||||
| Update Date | 2026-08-27 22:40:51 UTC | ||||||||
| Accession Number | CHEM282379 | ||||||||
| Identification | |||||||||
| Common Name | (4s)-4-[[2-[[2-[[(2s)-1-[2-[[(2s)-5-amino-2-[[(2s)-6-amino-2-[[(2s)-6-amino-2-[[2-[[2-[[(2s)-2-[[(2s)-2-[[2-[[2-[[2-[[2-[[(2s)-1-[2-[[(2s)-5-amino-2-[[2-[[2-[[(2s)-4-methyl-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]acetyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]-5-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[2-[[(2s)-1-[[2-[[2-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM282379: (4s)-4-[[2-[[2-[[(2s)-1-[2-[[(2s)-5-amino-2-[[(2s)-6-amino-2-[[(2s)-6-amino-2-[[2-[[2-[[(2s)-2-[[(2s)-2-[[2-[[2-[[2-[[2-[[(2s)-1-[2-[[(2s)-5-amino-2-[[2-[[2-[[(2s)-4-methyl-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]acetyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]-5-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[2-[[(2s)-1-[[2-[[2-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
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| Synonyms | Not Available | ||||||||
| Chemical Formula | C132H194N40O49S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 3155.364 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)CC(C(=O)NCC(=O)NCC(=O)NC(CCC(=O)N)C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)N2CCCC2C(=O)NCC(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(C)C(=O)NCC(=O)NCC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC5=CC=CC=C5)C(=O)N)NC(=O)C6CCC(=O)N6 | ||||||||
| InChI Identifier | InChI=1S/C132H194N40O49S/c1-66(2)45-84(169-125(214)78-27-34-92(175)156-78)120(209)147-54-96(179)143-60-103(186)158-75(25-32-90(135)173)117(206)152-64-106(189)171-42-15-23-88(171)131(220)150-56-98(181)140-51-93(176)139-52-94(177)141-58-100(183)155-68(4)116(205)168-86(48-112(199)200)121(210)148-55-97(180)142-59-102(185)157-73(21-11-13-40-133)122(211)161-74(22-12-14-41-134)123(212)162-76(26-33-91(136)174)119(208)153-65-107(190)172-43-16-24-89(172)132(221)151-57-99(182)144-61-104(187)159-79(29-36-109(193)194)124(213)164-81(31-38-111(197)198)127(216)165-80(30-37-110(195)196)126(215)163-77(28-35-108(191)192)118(207)149-63-101(184)154-67(3)115(204)146-53-95(178)145-62-105(188)160-85(47-70-50-138-72-20-10-9-19-71(70)72)129(218)166-82(39-44-222-5)128(217)170-87(49-113(201)202)130(219)167-83(114(137)203)46-69-17-7-6-8-18-69/h6-10,17-20,50,66-68,73-89,138H,11-16,21-49,51-65,133-134H2,1-5H3,(H2,135,173)(H2,136,174)(H2,137,203)(H,139,176)(H,140,181)(H,141,177)(H,142,180)(H,143,179)(H,144,182)(H,145,178)(H,146,204)(H,147,209)(H,148,210)(H,149,207)(H,150,220)(H,151,221)(H,152,206)(H,153,208)(H,154,184)(H,155,183)(H,156,175)(H,157,185)(H,158,186)(H,159,187)(H,160,188)(H,161,211)(H,162,212)(H,163,215)(H,164,213)(H,165,216)(H,166,218)(H,167,219)(H,168,205)(H,169,214)(H,170,217)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,201,202)/t67-,68-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-/m0/s1 | ||||||||
| InChI Key | RZIMNEGTIDYAGZ-HNSJZBNRSA-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 | |||||||||
| 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 | ||||||||
