1.0 2026-09-01 14:29:24 UTC 2026-09-01 14:29:24 UTC (1r,4s,7s,10s,13r,18r,21s,24s,27s,30r,33s,39s,42s)-n-[(2s)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-10-benzyl-33-[(2s)-butan-2-yl]-7,21,24,39-tetrakis(3-carbamimidamidopropyl)-13-[[(2s)-2-[[(2s)-2,6-diaminohexanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-27,42-bis[(4-hydroxyphenyl)methyl]-3,6,9,12,20,23,26,29,32,35,38,41,44-tridecaoxo-4-propan-2-yl-15,16,46,47-tetrathia-2,5,8,11,19,22,25,28,31,34,37,40,43-tridecazabicyclo[28.14.4]octatetracontane-18-carboxamide SmallMolecule (1r,4s,7s,10s,13r,18r,21s,24s,27s,30r,33s,39s,42s)-n-[(2s)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-10-benzyl-33-[(2s)-butan-2-yl]-7,21,24,39-tetrakis(3-carbamimidamidopropyl)-13-[[(2s)-2-[[(2s)-2,6-diaminohexanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-27,42-bis[(4-hydroxyphenyl)methyl]-3,6,9,12,20,23,26,29,32,35,38,41,44-tridecaoxo-4-propan-2-yl-15,16,46,47-tetrathia-2,5,8,11,19,22,25,28,31,34,37,40,43-tridecazabicyclo[28.14.4]octatetracontane-18-carboxamide is a chemical compound with the formula C99H151N35O19S4. With an average molecular weight of 2,264 g/mol, (1r,4s,7s,10s,13r,18r,21s,24s,27s,30r,33s,39s,42s)-n-[(2s)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-10-benzyl-33-[(2s)-butan-2-yl]-7,21,24,39-tetrakis(3-carbamimidamidopropyl)-13-[[(2s)-2-[[(2s)-2,6-diaminohexanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-27,42-bis[(4-hydroxyphenyl)methyl]-3,6,9,12,20,23,26,29,32,35,38,41,44-tridecaoxo-4-propan-2-yl-15,16,46,47-tetrathia-2,5,8,11,19,22,25,28,31,34,37,40,43-tridecazabicyclo[28.14.4]octatetracontane-18-carboxamide is a heavy molecule. This compound has been identified in one recorded source, specifically within food, food processing, and cookware during the preparation of wort. C99H151N35O19S4 2262.080832 118231-04-2 CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CCCNC(=N)N)CC3=CC=C(C=C3)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC4=CC=C(C=C4)O)CCCNC(=N)N)CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CCCCN)N)CC7=CC=CC=C7)CCCNC(=N)N)C(C)C InChI=1S/C99H151N35O19S4/c1-5-53(4)78-94(153)132-75-51-157-156-50-74(91(150)127-69(43-55-28-32-58(135)33-29-55)85(144)121-64(24-14-38-114-96(105)106)81(140)119-47-76(137)133-78)131-93(152)77(52(2)3)134-84(143)67(27-17-41-117-99(111)112)124-86(145)68(42-54-18-7-6-8-19-54)126-90(149)73(130-88(147)71(125-80(139)61(101)21-11-12-36-100)45-57-46-118-62-22-10-9-20-60(57)62)49-155-154-48-72(89(148)120-63(79(102)138)23-13-37-113-95(103)104)129-83(142)66(26-16-40-116-98(109)110)122-82(141)65(25-15-39-115-97(107)108)123-87(146)70(128-92(75)151)44-56-30-34-59(136)35-31-56/h6-10,18-20,22,28-35,46,52-53,61,63-75,77-78,118,135-136H,5,11-17,21,23-27,36-45,47-51,100-101H2,1-4H3,(H2,102,138)(H,119,140)(H,120,148)(H,121,144)(H,122,141)(H,123,146)(H,124,145)(H,125,139)(H,126,149)(H,127,150)(H,128,151)(H,129,142)(H,130,147)(H,131,152)(H,132,153)(H,133,137)(H,134,143)(H4,103,104,113)(H4,105,106,114)(H4,107,108,115)(H4,109,110,116)(H4,111,112,117)/t53-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,77-,78-/m0/s1 ZJQFYZCNRTZAIM-PMXBASNASA-N Detected and Not Quantified logp -2.7 mono_mass 2262.080832 ChemAxon smiles CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CCCNC(=N)N)CC3=CC=C(C=C3)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC4=CC=C(C=C4)O)CCCNC(=N)N)CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CCCCN)N)CC7=CC=CC=C7)CCCNC(=N)N)C(C)C ChemAxon formula C99H151N35O19S4 ChemAxon inchi InChI=1S/C99H151N35O19S4/c1-5-53(4)78-94(153)132-75-51-157-156-50-74(91(150)127-69(43-55-28-32-58(135)33-29-55)85(144)121-64(24-14-38-114-96(105)106)81(140)119-47-76(137)133-78)131-93(152)77(52(2)3)134-84(143)67(27-17-41-117-99(111)112)124-86(145)68(42-54-18-7-6-8-19-54)126-90(149)73(130-88(147)71(125-80(139)61(101)21-11-12-36-100)45-57-46-118-62-22-10-9-20-60(57)62)49-155-154-48-72(89(148)120-63(79(102)138)23-13-37-113-95(103)104)129-83(142)66(26-16-40-116-98(109)110)122-82(141)65(25-15-39-115-97(107)108)123-87(146)70(128-92(75)151)44-56-30-34-59(136)35-31-56/h6-10,18-20,22,28-35,46,52-53,61,63-75,77-78,118,135-136H,5,11-17,21,23-27,36-45,47-51,100-101H2,1-4H3,(H2,102,138)(H,119,140)(H,120,148)(H,121,144)(H,122,141)(H,123,146)(H,124,145)(H,125,139)(H,126,149)(H,127,150)(H,128,151)(H,129,142)(H,130,147)(H,131,152)(H,132,153)(H,133,137)(H,134,143)(H4,103,104,113)(H4,105,106,114)(H4,107,108,115)(H4,109,110,116)(H4,111,112,117)/t53-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,77-,78-/m0/s1 ChemAxon inchikey ZJQFYZCNRTZAIM-PMXBASNASA-N ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf8246f40> 16129721