12-carbamimidamido-9-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-5-(methylamino)-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]-N-[3-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-3-oxopropyl]-8-oxododecanamide;diiodovanadium;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[4-[10-[[5-[[8-[[8-[[8-[(5-carbamimidamido-2-ethylpentanoyl)amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2-(3-carbamimidamidopropyl)-6-(4-hydroxyphenyl)-4-oxohexanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane;hydroiodide

C267H455I3N78O59P6V — CID 164948921

IUPAC12-carbamimidamido-9-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-5-(methylamino)-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]-N-[3-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-3-oxopropyl]-8-oxododecanamide;diiodovanadium;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[4-[10-[[5-[[8-[[8-[[8-[(5-carbamimidamido-2-ethylpentanoyl)amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2-(3-carbamimidamidopropyl)-6-(4-hydroxyphenyl)-4-oxohexanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane;hydroiodide
SMILESC.I.I[V]I.[H]/N=C(\N)NCCCC(CC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC)CCCN/C(N)=N/[H])C(=O)CC(CCCN/C(N)=N/[H])C(=O)NC(Cc1ccc(O)cc1)C(=O)CC(CCCN/C(N)=N/[H])C(=O)CC(CCCN/C(N)=N/[H])C(=O)NC(Cc1ccc(O)cc1)C(=O)CC(CCCN/C(N)=N/[H])C(=O)CC(CCCN/C(N)=N/[H])C(=O)NC(Cc1ccc(O)cc1)C(=O)CC(CCCN/C(N)=N/[H])C(=O)NCCCCCC(=O)CCCC(=O)N1CC(C)OC(COP(=O)(CNC)N2CC(C)OC(COP(=O)(N(C)C)N3CC(C)OC(COP(=O)(N(C)C)N4CCN(C(=O)OCCOCCOCCO)CC4)C3)C2)C1.[H]/N=C(\N)NCCCC(NC)C(=O)CC(Cc1ccc(O)cc1)C(=O)NC(CCCN/C(N)=N/[H])C(=O)NC(CCCN/C(N)=N/[H])C(=O)CC(Cc1ccc(O)cc1)C(=O)NC(CCCN/C(N)=N/[H])C(=O)NC(CCCN/C(N)=N/[H])C(=O)CC(Cc1ccc(O)cc1)C(=O)NC(CCCN/C(N)=N/[H])C(=O)NC(CCCN/C(N)=N/[H])C(=O)CC(Cc1ccc(O)cc1)C(=O)NC(CCCN/C(N)=N/[H])C(=O)CCCCCCC(=O)NCCC(=O)N1CCN(P(=O)(OCC2CN(P(=O)(OCC3CN(P(=O)(CNC)OCC4CN(C)CC(C)O4)CC(C)O3)N(C)C)CC(C)O2)N(C)C)CC1
InChIInChI=1S/C138H232N37O32P3.C128H218N41O27P3.CH4.3HI.V/c1-10-97(23-15-51-157-130(139)140)126(191)165-113(69-93-34-42-106(178)43-35-93)120(185)73-98(24-16-52-158-131(141)142)117(182)76-102(28-20-56-162-135(149)150)127(192)166-114(70-94-36-44-107(179)45-37-94)121(186)74-99(25-17-53-159-132(143)144)118(183)77-103(29-21-57-163-136(151)152)128(193)167-115(71-95-38-46-108(180)47-39-95)122(187)75-100(26-18-54-160-133(145)146)119(184)78-104(30-22-58-164-137(153)154)129(194)168-116(72-96-40-48-109(181)49-41-96)123(188)79-101(27-19-55-161-134(147)148)125(190)156-50-13-11-12-31-105(177)32-14-33-124(189)172-80-90(2)205-110(83-172)86-202-208(196,89-155-5)174-81-91(3)206-111(84-174)87-204-210(198,170(8)9)175-82-92(4)207-112(85-175)88-203-209(197,169(6)7)173-61-59-171(60-62-173)138(195)201-68-67-200-66-65-199-64-63-176;1-81-71-165(10)74-96(194-81)77-191-197(188,80-145-4)168-72-82(2)195-97(75-168)78-193-199(190,164(8)9)169-73-83(3)196-98(76-169)79-192-198(189,163(6)7)167-61-59-166(60-62-167)113(180)49-58-147-112(179)32-14-12-11-13-31-107(174)100(24-16-51-149-122(131)132)156-114(181)89(64-85-35-43-93(171)44-36-85)68-109(176)101(25-17-52-150-123(133)134)157-119(186)105(29-21-56-154-127(141)142)161-116(183)91(66-87-39-47-95(173)48-40-87)70-111(178)103(27-19-54-152-125(137)138)159-120(187)106(30-22-57-155-128(143)144)162-117(184)90(65-86-37-45-94(172)46-38-86)69-110(177)102(26-18-53-151-124(135)136)158-118(185)104(28-20-55-153-126(139)140)160-115(182)88(63-84-33-41-92(170)42-34-84)67-108(175)99(146-5)23-15-50-148-121(129)130;;;;;/h34-49,90-92,97-104,110-116,155,176,178-181H,10-33,50-89H2,1-9H3,(H,156,190)(H,165,191)(H,166,192)(H,167,193)(H,168,194)(H4,139,140,157)(H4,141,142,158)(H4,143,144,159)(H4,145,146,160)(H4,147,148,161)(H4,149,150,162)(H4,151,152,163)(H4,153,154,164);33-48,81-83,88-91,96-106,145-146,170-173H,11-32,49-80H2,1-10H3,(H,147,179)(H,156,181)(H,157,186)(H,158,185)(H,159,187)(H,160,182)(H,161,183)(H,162,184)(H4,129,130,148)(H4,131,132,149)(H4,133,134,150)(H4,135,136,151)(H4,137,138,152)(H4,139,140,153)(H4,141,142,154)(H4,143,144,155);1H4;3*1H;/q;;;;;;+2/p-2
InChIKeyCVLXUEVSTJPSPP-UHFFFAOYSA-L
MW6319.56 g/mol
LogP6.04
Rot. Bonds199

About 12-carbamimidamido-9-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-5-(methylamino)-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]-N-[3-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-3-oxopropyl]-8-oxododecanamide;diiodovanadium;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[4-[10-[[5-[[8-[[8-[[8-[(5-carbamimidamido-2-ethylpentanoyl)amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2-(3-carbamimidamidopropyl)-6-(4-hydroxyphenyl)-4-oxohexanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane;hydroiodide

12-carbamimidamido-9-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-5-(methylamino)-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]-N-[3-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-3-oxopropyl]-8-oxododecanamide;diiodovanadium;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[4-[10-[[5-[[8-[[8-[[8-[(5-carbamimidamido-2-ethylpentanoyl)amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2-(3-carbamimidamidopropyl)-6-(4-hydroxyphenyl)-4-oxohexanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane;hydroiodide (PubChem CID 164948921) has the molecular formula C267H455I3N78O59P6V and a molecular weight of 6319.56 g/mol. Its IUPAC name is 12-carbamimidamido-9-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-5-(methylamino)-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]-N-[3-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-3-oxopropyl]-8-oxododecanamide;diiodovanadium;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[4-[10-[[5-[[8-[[8-[[8-[(5-carbamimidamido-2-ethylpentanoyl)amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2-(3-carbamimidamidopropyl)-6-(4-hydroxyphenyl)-4-oxohexanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane;hydroiodide.

Molecular Properties

Compound Name12-carbamimidamido-9-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-5-(methylamino)-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]-N-[3-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-3-oxopropyl]-8-oxododecanamide;diiodovanadium;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[4-[10-[[5-[[8-[[8-[[8-[(5-carbamimidamido-2-ethylpentanoyl)amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2-(3-carbamimidamidopropyl)-6-(4-hydroxyphenyl)-4-oxohexanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane;hydroiodide
PubChem CID164948921
Molecular FormulaC267H455I3N78O59P6V
Molecular Weight6319.56 g/mol
Exact Mass6316.00
IUPAC Name12-carbamimidamido-9-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-5-(methylamino)-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]-N-[3-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-3-oxopropyl]-8-oxododecanamide;diiodovanadium;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[4-[10-[[5-[[8-[[8-[[8-[(5-carbamimidamido-2-ethylpentanoyl)amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2-(3-carbamimidamidopropyl)-6-(4-hydroxyphenyl)-4-oxohexanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane;hydroiodide
SMILESC.I.I[V]I.[H]/N=C(\N)NCCCC(CC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC)CCCN/C(N)=N/[H])C(=O)CC(CCCN/C(N)=N/[H])C(=O)NC(Cc1ccc(O)cc1)C(=O)CC(CCCN/C(N)=N/[H])C(=O)CC(CCCN/C(N)=N/[H])C(=O)NC(Cc1ccc(O)cc1)C(=O)CC(CCCN/C(N)=N/[H])C(=O)CC(CCCN/C(N)=N/[H])C(=O)NC(Cc1ccc(O)cc1)C(=O)CC(CCCN/C(N)=N/[H])C(=O)NCCCCCC(=O)CCCC(=O)N1CC(C)OC(COP(=O)(CNC)N2CC(C)OC(COP(=O)(N(C)C)N3CC(C)OC(COP(=O)(N(C)C)N4CCN(C(=O)OCCOCCOCCO)CC4)C3)C2)C1.[H]/N=C(\N)NCCCC(NC)C(=O)CC(Cc1ccc(O)cc1)C(=O)NC(CCCN/C(N)=N/[H])C(=O)NC(CCCN/C(N)=N/[H])C(=O)CC(Cc1ccc(O)cc1)C(=O)NC(CCCN/C(N)=N/[H])C(=O)NC(CCCN/C(N)=N/[H])C(=O)CC(Cc1ccc(O)cc1)C(=O)NC(CCCN/C(N)=N/[H])C(=O)NC(CCCN/C(N)=N/[H])C(=O)CC(Cc1ccc(O)cc1)C(=O)NC(CCCN/C(N)=N/[H])C(=O)CCCCCCC(=O)NCCC(=O)N1CCN(P(=O)(OCC2CN(P(=O)(OCC3CN(P(=O)(CNC)OCC4CN(C)CC(C)O4)CC(C)O3)N(C)C)CC(C)O2)N(C)C)CC1
InChIInChI=1S/C138H232N37O32P3.C128H218N41O27P3.CH4.3HI.V/c1-10-97(23-15-51-157-130(139)140)126(191)165-113(69-93-34-42-106(178)43-35-93)120(185)73-98(24-16-52-158-131(141)142)117(182)76-102(28-20-56-162-135(149)150)127(192)166-114(70-94-36-44-107(179)45-37-94)121(186)74-99(25-17-53-159-132(143)144)118(183)77-103(29-21-57-163-136(151)152)128(193)167-115(71-95-38-46-108(180)47-39-95)122(187)75-100(26-18-54-160-133(145)146)119(184)78-104(30-22-58-164-137(153)154)129(194)168-116(72-96-40-48-109(181)49-41-96)123(188)79-101(27-19-55-161-134(147)148)125(190)156-50-13-11-12-31-105(177)32-14-33-124(189)172-80-90(2)205-110(83-172)86-202-208(196,89-155-5)174-81-91(3)206-111(84-174)87-204-210(198,170(8)9)175-82-92(4)207-112(85-175)88-203-209(197,169(6)7)173-61-59-171(60-62-173)138(195)201-68-67-200-66-65-199-64-63-176;1-81-71-165(10)74-96(194-81)77-191-197(188,80-145-4)168-72-82(2)195-97(75-168)78-193-199(190,164(8)9)169-73-83(3)196-98(76-169)79-192-198(189,163(6)7)167-61-59-166(60-62-167)113(180)49-58-147-112(179)32-14-12-11-13-31-107(174)100(24-16-51-149-122(131)132)156-114(181)89(64-85-35-43-93(171)44-36-85)68-109(176)101(25-17-52-150-123(133)134)157-119(186)105(29-21-56-154-127(141)142)161-116(183)91(66-87-39-47-95(173)48-40-87)70-111(178)103(27-19-54-152-125(137)138)159-120(187)106(30-22-57-155-128(143)144)162-117(184)90(65-86-37-45-94(172)46-38-86)69-110(177)102(26-18-53-151-124(135)136)158-118(185)104(28-20-55-153-126(139)140)160-115(182)88(63-84-33-41-92(170)42-34-84)67-108(175)99(146-5)23-15-50-148-121(129)130;;;;;/h34-49,90-92,97-104,110-116,155,176,178-181H,10-33,50-89H2,1-9H3,(H,156,190)(H,165,191)(H,166,192)(H,167,193)(H,168,194)(H4,139,140,157)(H4,141,142,158)(H4,143,144,159)(H4,145,146,160)(H4,147,148,161)(H4,149,150,162)(H4,151,152,163)(H4,153,154,164);33-48,81-83,88-91,96-106,145-146,170-173H,11-32,49-80H2,1-10H3,(H,147,179)(H,156,181)(H,157,186)(H,158,185)(H,159,187)(H,160,182)(H,161,183)(H,162,184)(H4,129,130,148)(H4,131,132,149)(H4,133,134,150)(H4,135,136,151)(H4,137,138,152)(H4,139,140,153)(H4,141,142,154)(H4,143,144,155);1H4;3*1H;/q;;;;;;+2/p-2
InChIKeyCVLXUEVSTJPSPP-UHFFFAOYSA-L
XLogP6.04
TPSA2146.21 Ų
H-Bond Donors73
H-Bond Acceptors79
Rotatable Bonds199
Heavy Atoms414
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006319.56
LogP ≤ 56.04
H-Bond Donors ≤ 573
H-Bond Acceptors ≤ 1079

Analyze 12-carbamimidamido-9-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-5-(methylamino)-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]-N-[3-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-3-oxopropyl]-8-oxododecanamide;diiodovanadium;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[4-[10-[[5-[[8-[[8-[[8-[(5-carbamimidamido-2-ethylpentanoyl)amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2-(3-carbamimidamidopropyl)-6-(4-hydroxyphenyl)-4-oxohexanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane;hydroiodide with MolForge

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Related Compounds

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[4-[10-[[5-[[8-[[8-[[8-[(5-carbamimidamido-2-ethylpentanoyl)amino]-2,5-bis(3-carbamimidamidopropyl)-4,7-dioxo-9-phenylnonanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-4,7-dioxo-9-phenylnonanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-4,7-dioxo-9-phenylnonanoyl]amino]-2-(3-carbamimidamidopropyl)-4-oxo-6-phenylhexanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate
CID 161436353
potassium;12-(diaminomethylideneamino)-9-[[8-(diaminomethylideneamino)-5-[[5-(diaminomethylideneamino)-2-[[8-(diaminomethylideneamino)-5-[[5-(diaminomethylideneamino)-2-[[8-(diaminomethylideneamino)-5-[[5-(diaminomethylideneamino)-2-[[8-(diaminomethylideneamino)-5-(methylamino)-4-oxooctanoyl]amino]pentanoyl]amino]-4-oxooctanoyl]amino]pentanoyl]amino]-4-oxooctanoyl]amino]pentanoyl]amino]-4-oxooctanoyl]amino]-N-[3-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-3-oxopropyl]-8-oxododecanamide;diiodovanadium;hydride;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[4-[10-[[5-[[8-[[8-[[8-[[5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]-2,5-bis[3-(diaminomethylideneamino)propyl]-4,7-dioxooctanoyl]amino]-2,5-bis[3-(diaminomethylideneamino)propyl]-4,7-dioxooctanoyl]amino]-2,5-bis[3-(diaminomethylideneamino)propyl]-4,7-dioxooctanoyl]amino]-2-[3-(diaminomethylideneamino)propyl]-4-oxopentanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane
CID 165108593
5-benzyl-N-[5-benzyl-8-[[5-benzyl-6-[[1-carbamimidamido-5,12-dioxo-12-(3-oxobutylamino)dodecan-4-yl]amino]-3,6-dioxo-1-phenylhexan-2-yl]carbamoyl]-11-carbamimidamido-3,6-dioxo-1-phenylundecan-2-yl]-8-[(5-carbamimidamido-2-ethylpentanoyl)amino]-2-(3-carbamimidamidopropyl)-4,7-dioxo-9-phenylnonanamide;1-[[2-[[dimethylamino-[2-[[dimethylamino-(4-methylpiperazin-1-yl)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-[(4,6-dimethylmorpholin-2-yl)methoxy]phosphoryl]-N-methylmethanamine
CID 158026822
2-benzyl-N-[1-(diaminomethylideneamino)-8-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-5,8-dioxooctan-4-yl]-5-[[5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]-4-oxo-6-phenylhexanamide
CID 162200114
2-hydroxyethyl 4-[[4-[[4-[[4-[10-[[5-[[5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]-2-[3-(diaminomethylideneamino)propyl]-4-oxopentanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate
CID 159827648
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane
CID 159472683
5-[[2-benzyl-5-[[2-[[2-benzyl-5-[[2-[[2-benzyl-8-carbamimidamido-5-(methylamino)-4-oxooctanoyl]amino]-3-phenylpropanoyl]amino]-8-carbamimidamido-4-oxooctanoyl]amino]-3-phenylpropanoyl]amino]-8-carbamimidamido-4-oxooctanoyl]amino]-2-(3-carbamimidamidopropyl)-N-(11-methyl-6,10-dioxododecyl)-4-oxo-6-phenylhexanamide
CID 157173560
N-[8-[4-[[4-[[4-[(4-acetyl-6-methylmorpholin-2-yl)methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazin-1-yl]-1-(diaminomethylideneamino)-5,8-dioxooctan-4-yl]acetamide
CID 164962104
(2S,5R)-N-[(4R,7S)-7-[[(4R,7S)-7-[[(4R,7S)-7-[[(2S)-6-[(4R)-4-[(4-acetylphenyl)methyl]-5-amino-2,5-dioxopentoxy]-3-oxo-1-sulfanylhexan-2-yl]carbamoyl]-1,10-dicarbamimidamido-5-oxodecan-4-yl]carbamoyl]-1,10-dicarbamimidamido-5-oxodecan-4-yl]carbamoyl]-1,10-dicarbamimidamido-5-oxodecan-4-yl]-8-carbamimidamido-2-(3-carbamimidamidopropyl)-5-[[(2S)-2-(3-carbamimidamidopropyl)-4-oxopentanoyl]amino]-4-oxooctanamide
CID 161384312
2-benzyl-8-(diaminomethylideneamino)-N-[5-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6-dioxo-1-phenyloctan-2-yl]-5-(methylamino)-4-oxooctanamide;5-(diaminomethylideneamino)-N-[8-[3-(diaminomethylideneamino)propyl]-10-methyl-6,9-dioxoundecyl]-2-ethylpentanamide;2-[6-methyl-5-oxo-4-(2-oxopropyl)heptyl]guanidine
CID 160735647
N-[5-[[9-[[2-[2-[2-[2-[(1R,2R,3R,4S,5R)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-5-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-2-[4-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]butyl]-4-oxononanoyl]amino]-6-(heptylamino)-6-oxohexyl]hexadecanamide;1-N,6-N-bis[2-[6-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-2-N-[9-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]-10-(4-hydroxyphenyl)-9-(methylamino)-4,8-dioxodecane-1,2,6-tricarboxamide
CID 158109393
(2S)-5-[2-[2-[5-[2-[2-[[(5S)-7-[[(2R,5S)-1,10-diamino-2-[(4-hydroxyphenyl)methyl]-10-imino-1,4-dioxodecan-5-yl]-methylamino]-5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-5-oxo-2-(16-sulfohexadecanoylamino)pentanoic acid
CID 158144499

Frequently Asked Questions

What is the IUPAC name of 12-carbamimidamido-9-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-5-(methylamino)-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]-N-[3-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-3-oxopropyl]-8-oxododecanamide;diiodovanadium;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[4-[10-[[5-[[8-[[8-[[8-[(5-carbamimidamido-2-ethylpentanoyl)amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2-(3-carbamimidamidopropyl)-6-(4-hydroxyphenyl)-4-oxohexanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane;hydroiodide?
The IUPAC name of 12-carbamimidamido-9-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-5-(methylamino)-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]-N-[3-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-3-oxopropyl]-8-oxododecanamide;diiodovanadium;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[4-[10-[[5-[[8-[[8-[[8-[(5-carbamimidamido-2-ethylpentanoyl)amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2-(3-carbamimidamidopropyl)-6-(4-hydroxyphenyl)-4-oxohexanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane;hydroiodide (CID 164948921) is 12-carbamimidamido-9-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-5-(methylamino)-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]-N-[3-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-3-oxopropyl]-8-oxododecanamide;diiodovanadium;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[4-[10-[[5-[[8-[[8-[[8-[(5-carbamimidamido-2-ethylpentanoyl)amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2-(3-carbamimidamidopropyl)-6-(4-hydroxyphenyl)-4-oxohexanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane;hydroiodide.
What is the SMILES notation for 12-carbamimidamido-9-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-5-(methylamino)-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]-N-[3-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-3-oxopropyl]-8-oxododecanamide;diiodovanadium;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[4-[10-[[5-[[8-[[8-[[8-[(5-carbamimidamido-2-ethylpentanoyl)amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2-(3-carbamimidamidopropyl)-6-(4-hydroxyphenyl)-4-oxohexanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane;hydroiodide?
The canonical SMILES for 12-carbamimidamido-9-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-5-(methylamino)-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]-N-[3-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-3-oxopropyl]-8-oxododecanamide;diiodovanadium;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[4-[10-[[5-[[8-[[8-[[8-[(5-carbamimidamido-2-ethylpentanoyl)amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2-(3-carbamimidamidopropyl)-6-(4-hydroxyphenyl)-4-oxohexanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane;hydroiodide is C.I.I[V]I.[H]/N=C(\N)NCCCC(CC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC)CCCN/C(N)=N/[H])C(=O)CC(CCCN/C(N)=N/[H])C(=O)NC(Cc1ccc(O)cc1)C(=O)CC(CCCN/C(N)=N/[H])C(=O)CC(CCCN/C(N)=N/[H])C(=O)NC(Cc1ccc(O)cc1)C(=O)CC(CCCN/C(N)=N/[H])C(=O)CC(CCCN/C(N)=N/[H])C(=O)NC(Cc1ccc(O)cc1)C(=O)CC(CCCN/C(N)=N/[H])C(=O)NCCCCCC(=O)CCCC(=O)N1CC(C)OC(COP(=O)(CNC)N2CC(C)OC(COP(=O)(N(C)C)N3CC(C)OC(COP(=O)(N(C)C)N4CCN(C(=O)OCCOCCOCCO)CC4)C3)C2)C1.[H]/N=C(\N)NCCCC(NC)C(=O)CC(Cc1ccc(O)cc1)C(=O)NC(CCCN/C(N)=N/[H])C(=O)NC(CCCN/C(N)=N/[H])C(=O)CC(Cc1ccc(O)cc1)C(=O)NC(CCCN/C(N)=N/[H])C(=O)NC(CCCN/C(N)=N/[H])C(=O)CC(Cc1ccc(O)cc1)C(=O)NC(CCCN/C(N)=N/[H])C(=O)NC(CCCN/C(N)=N/[H])C(=O)CC(Cc1ccc(O)cc1)C(=O)NC(CCCN/C(N)=N/[H])C(=O)CCCCCCC(=O)NCCC(=O)N1CCN(P(=O)(OCC2CN(P(=O)(OCC3CN(P(=O)(CNC)OCC4CN(C)CC(C)O4)CC(C)O3)N(C)C)CC(C)O2)N(C)C)CC1.
What is the InChIKey of 12-carbamimidamido-9-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-5-(methylamino)-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]-N-[3-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-3-oxopropyl]-8-oxododecanamide;diiodovanadium;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[4-[10-[[5-[[8-[[8-[[8-[(5-carbamimidamido-2-ethylpentanoyl)amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2-(3-carbamimidamidopropyl)-6-(4-hydroxyphenyl)-4-oxohexanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane;hydroiodide?
The InChIKey is CVLXUEVSTJPSPP-UHFFFAOYSA-L. The full InChI is InChI=1S/C138H232N37O32P3.C128H218N41O27P3.CH4.3HI.V/c1-10-97(23-15-51-157-130(139)140)126(191)165-113(69-93-34-42-106(178)43-35-93)120(185)73-98(24-16-52-158-131(141)142)117(182)76-102(28-20-56-162-135(149)150)127(192)166-114(70-94-36-44-107(179)45-37-94)121(186)74-99(25-17-53-159-132(143)144)118(183)77-103(29-21-57-163-136(151)152)128(193)167-115(71-95-38-46-108(180)47-39-95)122(187)75-100(26-18-54-160-133(145)146)119(184)78-104(30-22-58-164-137(153)154)129(194)168-116(72-96-40-48-109(181)49-41-96)123(188)79-101(27-19-55-161-134(147)148)125(190)156-50-13-11-12-31-105(177)32-14-33-124(189)172-80-90(2)205-110(83-172)86-202-208(196,89-155-5)174-81-91(3)206-111(84-174)87-204-210(198,170(8)9)175-82-92(4)207-112(85-175)88-203-209(197,169(6)7)173-61-59-171(60-62-173)138(195)201-68-67-200-66-65-199-64-63-176;1-81-71-165(10)74-96(194-81)77-191-197(188,80-145-4)168-72-82(2)195-97(75-168)78-193-199(190,164(8)9)169-73-83(3)196-98(76-169)79-192-198(189,163(6)7)167-61-59-166(60-62-167)113(180)49-58-147-112(179)32-14-12-11-13-31-107(174)100(24-16-51-149-122(131)132)156-114(181)89(64-85-35-43-93(171)44-36-85)68-109(176)101(25-17-52-150-123(133)134)157-119(186)105(29-21-56-154-127(141)142)161-116(183)91(66-87-39-47-95(173)48-40-87)70-111(178)103(27-19-54-152-125(137)138)159-120(187)106(30-22-57-155-128(143)144)162-117(184)90(65-86-37-45-94(172)46-38-86)69-110(177)102(26-18-53-151-124(135)136)158-118(185)104(28-20-55-153-126(139)140)160-115(182)88(63-84-33-41-92(170)42-34-84)67-108(175)99(146-5)23-15-50-148-121(129)130;;;;;/h34-49,90-92,97-104,110-116,155,176,178-181H,10-33,50-89H2,1-9H3,(H,156,190)(H,165,191)(H,166,192)(H,167,193)(H,168,194)(H4,139,140,157)(H4,141,142,158)(H4,143,144,159)(H4,145,146,160)(H4,147,148,161)(H4,149,150,162)(H4,151,152,163)(H4,153,154,164);33-48,81-83,88-91,96-106,145-146,170-173H,11-32,49-80H2,1-10H3,(H,147,179)(H,156,181)(H,157,186)(H,158,185)(H,159,187)(H,160,182)(H,161,183)(H,162,184)(H4,129,130,148)(H4,131,132,149)(H4,133,134,150)(H4,135,136,151)(H4,137,138,152)(H4,139,140,153)(H4,141,142,154)(H4,143,144,155);1H4;3*1H;/q;;;;;;+2/p-2.
What are the key properties of 12-carbamimidamido-9-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-5-(methylamino)-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]-N-[3-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-3-oxopropyl]-8-oxododecanamide;diiodovanadium;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[4-[10-[[5-[[8-[[8-[[8-[(5-carbamimidamido-2-ethylpentanoyl)amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2-(3-carbamimidamidopropyl)-6-(4-hydroxyphenyl)-4-oxohexanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane;hydroiodide?
12-carbamimidamido-9-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-5-(methylamino)-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]-N-[3-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-3-oxopropyl]-8-oxododecanamide;diiodovanadium;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[4-[10-[[5-[[8-[[8-[[8-[(5-carbamimidamido-2-ethylpentanoyl)amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2-(3-carbamimidamidopropyl)-6-(4-hydroxyphenyl)-4-oxohexanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane;hydroiodide has a molecular weight of 6319.56 g/mol, XLogP of 6.04, 199 rotatable bonds, 73 hydrogen bond donors, and 79 hydrogen bond acceptors.
Where does this data come from?
All data for 12-carbamimidamido-9-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-5-(methylamino)-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]-N-[3-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-3-oxopropyl]-8-oxododecanamide;diiodovanadium;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[4-[10-[[5-[[8-[[8-[[8-[(5-carbamimidamido-2-ethylpentanoyl)amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2-(3-carbamimidamidopropyl)-6-(4-hydroxyphenyl)-4-oxohexanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane;hydroiodide is sourced from PubChem (CID 164948921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).