N-[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-(3-carbamoyl-4-methoxyanilino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]-N'-[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[(6-carbamoyl-5-methoxy-2-pyridinyl)amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]decanediamide

C118H168N46O26 — CID 122591476

About N-[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-(3-carbamoyl-4-methoxyanilino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]-N'-[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[(6-carbamoyl-5-methoxy-2-pyridinyl)amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]decanediamide

N-[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-(3-carbamoyl-4-methoxyanilino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]-N'-[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[(6-carbamoyl-5-methoxy-2-pyridinyl)amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]decanediamide (PubChem CID 122591476) has the molecular formula C118H168N46O26 and a molecular weight of 2646.94 g/mol. Its IUPAC name is N-[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-(3-carbamoyl-4-methoxyanilino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]-N'-[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[(6-carbamoyl-5-methoxy-2-pyridinyl)amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]decanediamide.

Molecular Properties

• Compound Name: N-[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-(3-carbamoyl-4-methoxyanilino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]-N'-[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[(6-carbamoyl-5-methoxy-2-pyridinyl)amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]decanediamide
• PubChem CID: 122591476
• Molecular Formula: C118H168N46O26
• Molecular Weight: 2646.94 g/mol
• Exact Mass: 2645.32
• IUPAC Name: N-[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-(3-carbamoyl-4-methoxyanilino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]-N'-[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[(6-carbamoyl-5-methoxy-2-pyridinyl)amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]decanediamide
• SMILES: [H]/N=C(\N)NCCC[C@@H](NC(=O)CCCCCCCCC(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)Nc1ccc(OC)c(C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)Nc2ccc(OC)c(C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)Nc3ccc(OC)c(C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)Nc4ccc(OC)c(C(N)=O)n4)n3)n2)n1)C(=O)Nc1ccc(OC)c(C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)Nc2ccc(OC)c(C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)Nc3ccc(OC)c(C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)Nc4ccc(OC)c(C(N)=O)c4)c3)c2)c1
• InChI: InChI=1S/C118H168N46O26/c1-183-77-37-33-61(57-65(77)95(119)167)145-101(173)71(25-17-51-139-113(125)126)151-98(170)67-59-63(35-39-79(67)185-3)147-103(175)73(27-19-53-141-115(129)130)153-99(171)68-60-64(36-40-80(68)186-4)148-102(174)72(26-18-52-140-114(127)128)152-97(169)66-58-62(34-38-78(66)184-2)146-100(172)69(23-15-49-137-111(121)122)149-89(165)31-13-11-9-10-12-14-32-90(166)150-70(24-16-50-138-112(123)124)104(176)162-86-46-42-82(188-6)92(158-86)108(180)155-75(29-21-55-143-117(133)134)106(178)164-88-48-44-84(190-8)94(160-88)110(182)156-76(30-22-56-144-118(135)136)107(179)163-87-47-43-83(189-7)93(159-87)109(181)154-74(28-20-54-142-116(131)132)105(177)161-85-45-41-81(187-5)91(157-85)96(120)168/h33-48,57-60,69-76H,9-32,49-56H2,1-8H3,(H2,119,167)(H2,120,168)(H,145,173)(H,146,172)(H,147,175)(H,148,174)(H,149,165)(H,150,166)(H,151,170)(H,152,169)(H,153,171)(H,154,181)(H,155,180)(H,156,182)(H4,121,122,137)(H4,123,124,138)(H4,125,126,139)(H4,127,128,140)(H4,129,130,141)(H4,131,132,142)(H4,133,134,143)(H4,135,136,144)(H,157,161,177)(H,158,162,176)(H,159,163,179)(H,160,164,178)/t69-,70-,71-,72-,73-,74-,75-,76-/m1/s1
• InChIKey: GWBJOQCNVWKTFD-LEPFAQBSSA-N
• XLogP: -1.27
• TPSA: 1172.38 Ų
• H-Bond Donors: 42
• H-Bond Acceptors: 38
• Rotatable Bonds: 81
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2646.94
LogP ≤ 5	-1.27
H-Bond Donors ≤ 5	42
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-(3-carbamoyl-4-methoxyanilino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]-N'-[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[(6-carbamoyl-5-methoxy-2-pyridinyl)amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]decanediamide?

The IUPAC name of N-[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-(3-carbamoyl-4-methoxyanilino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]-N'-[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[(6-carbamoyl-5-methoxy-2-pyridinyl)amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]decanediamide (CID 122591476) is N-[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-(3-carbamoyl-4-methoxyanilino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]-N'-[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[(6-carbamoyl-5-methoxy-2-pyridinyl)amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]decanediamide.

What is the SMILES notation for N-[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-(3-carbamoyl-4-methoxyanilino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]-N'-[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[(6-carbamoyl-5-methoxy-2-pyridinyl)amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]decanediamide?

The canonical SMILES for N-[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-(3-carbamoyl-4-methoxyanilino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]-N'-[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[(6-carbamoyl-5-methoxy-2-pyridinyl)amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]decanediamide is [H]/N=C(\N)NCCC[C@@H](NC(=O)CCCCCCCCC(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)Nc1ccc(OC)c(C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)Nc2ccc(OC)c(C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)Nc3ccc(OC)c(C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)Nc4ccc(OC)c(C(N)=O)n4)n3)n2)n1)C(=O)Nc1ccc(OC)c(C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)Nc2ccc(OC)c(C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)Nc3ccc(OC)c(C(=O)N[C@H](CCCN/C(N)=N/[H])C(=O)Nc4ccc(OC)c(C(N)=O)c4)c3)c2)c1.

What is the InChIKey of N-[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-(3-carbamoyl-4-methoxyanilino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]-N'-[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[(6-carbamoyl-5-methoxy-2-pyridinyl)amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]decanediamide?

The InChIKey is GWBJOQCNVWKTFD-LEPFAQBSSA-N. The full InChI is InChI=1S/C118H168N46O26/c1-183-77-37-33-61(57-65(77)95(119)167)145-101(173)71(25-17-51-139-113(125)126)151-98(170)67-59-63(35-39-79(67)185-3)147-103(175)73(27-19-53-141-115(129)130)153-99(171)68-60-64(36-40-80(68)186-4)148-102(174)72(26-18-52-140-114(127)128)152-97(169)66-58-62(34-38-78(66)184-2)146-100(172)69(23-15-49-137-111(121)122)149-89(165)31-13-11-9-10-12-14-32-90(166)150-70(24-16-50-138-112(123)124)104(176)162-86-46-42-82(188-6)92(158-86)108(180)155-75(29-21-55-143-117(133)134)106(178)164-88-48-44-84(190-8)94(160-88)110(182)156-76(30-22-56-144-118(135)136)107(179)163-87-47-43-83(189-7)93(159-87)109(181)154-74(28-20-54-142-116(131)132)105(177)161-85-45-41-81(187-5)91(157-85)96(120)168/h33-48,57-60,69-76H,9-32,49-56H2,1-8H3,(H2,119,167)(H2,120,168)(H,145,173)(H,146,172)(H,147,175)(H,148,174)(H,149,165)(H,150,166)(H,151,170)(H,152,169)(H,153,171)(H,154,181)(H,155,180)(H,156,182)(H4,121,122,137)(H4,123,124,138)(H4,125,126,139)(H4,127,128,140)(H4,129,130,141)(H4,131,132,142)(H4,133,134,143)(H4,135,136,144)(H,157,161,177)(H,158,162,176)(H,159,163,179)(H,160,164,178)/t69-,70-,71-,72-,73-,74-,75-,76-/m1/s1.

What are the key properties of N-[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-(3-carbamoyl-4-methoxyanilino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]-N'-[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[(6-carbamoyl-5-methoxy-2-pyridinyl)amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]decanediamide?

N-[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-(3-carbamoyl-4-methoxyanilino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]-N'-[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[(6-carbamoyl-5-methoxy-2-pyridinyl)amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]decanediamide has a molecular weight of 2646.94 g/mol, XLogP of -1.27, 81 rotatable bonds, 42 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-[3-[[(2R)-5-carbamimidamido-1-(3-carbamoyl-4-methoxyanilino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]-N'-[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[[6-[[(2R)-5-carbamimidamido-1-[(6-carbamoyl-5-methoxy-2-pyridinyl)amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-1-oxopentan-2-yl]decanediamide is sourced from PubChem (CID 122591476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).