acetic acid;N-[1-[[1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[[1-[[2-[2-[[1-[[1-[2-[2-[2-[[1-[[1-[[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[2-[[2-[[2-[(2-amino-5-carbamimidamidopentanoyl)amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]butanediamide

C130H209N37O34 — CID 171341100

About acetic acid;N-[1-[[1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[[1-[[2-[2-[[1-[[1-[2-[2-[2-[[1-[[1-[[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[2-[[2-[[2-[(2-amino-5-carbamimidamidopentanoyl)amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]butanediamide

acetic acid;N-[1-[[1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[[1-[[2-[2-[[1-[[1-[2-[2-[2-[[1-[[1-[[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[2-[[2-[[2-[(2-amino-5-carbamimidamidopentanoyl)amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]butanediamide (PubChem CID 171341100) has the molecular formula C130H209N37O34 and a molecular weight of 2834.33 g/mol. Its IUPAC name is acetic acid;N-[1-[[1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[[1-[[2-[2-[[1-[[1-[2-[2-[2-[[1-[[1-[[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[2-[[2-[[2-[(2-amino-5-carbamimidamidopentanoyl)amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]butanediamide.

Molecular Properties

• Compound Name: acetic acid;N-[1-[[1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[[1-[[2-[2-[[1-[[1-[2-[2-[2-[[1-[[1-[[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[2-[[2-[[2-[(2-amino-5-carbamimidamidopentanoyl)amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]butanediamide
• PubChem CID: 171341100
• Molecular Formula: C130H209N37O34
• Molecular Weight: 2834.33 g/mol
• Exact Mass: 2832.58
• IUPAC Name: acetic acid;N-[1-[[1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[[1-[[2-[2-[[1-[[1-[2-[2-[2-[[1-[[1-[[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[2-[[2-[[2-[(2-amino-5-carbamimidamidopentanoyl)amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]butanediamide
• SMILES: CC(=O)O.[H]/N=C(\N)NCCCC(N)C(=O)NCC(=O)NC(CCCN/C(N)=N/[H])C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(C)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(N)=O)C(C)C)C(C)O
• InChI: InChI=1S/C128H205N37O32.C2H4O2/c1-62(2)46-81(110(181)143-60-101(174)162-42-24-32-92(162)121(192)160-102(68(13)14)122(193)158-90(51-67(11)12)124(195)164-44-26-34-94(164)126(197)165-45-27-35-95(165)125(196)163-43-25-33-93(163)120(191)147-72(18)107(178)152-83(48-64(5)6)112(183)146-71(17)106(177)151-82(47-63(3)4)111(182)144-69(15)104(132)175)153-113(184)84(49-65(7)8)154-115(186)86(52-74-36-38-76(168)39-37-74)149-99(172)57-140-105(176)70(16)145-119(190)91(61-166)159-117(188)89(55-97(131)170)156-114(185)85(50-66(9)10)157-123(194)103(73(19)167)161-118(189)87(53-75-56-139-79-30-21-20-28-77(75)79)155-116(187)88(54-96(130)169)150-100(173)59-142-109(180)80(31-23-41-138-128(135)136)148-98(171)58-141-108(179)78(129)29-22-40-137-127(133)134;1-2(3)4/h20-21,28,30,36-39,56,62-73,78,80-95,102-103,139,166-168H,22-27,29,31-35,40-55,57-61,129H2,1-19H3,(H2,130,169)(H2,131,170)(H2,132,175)(H,140,176)(H,141,179)(H,142,180)(H,143,181)(H,144,182)(H,145,190)(H,146,183)(H,147,191)(H,148,171)(H,149,172)(H,150,173)(H,151,177)(H,152,178)(H,153,184)(H,154,186)(H,155,187)(H,156,185)(H,157,194)(H,158,193)(H,159,188)(H,160,192)(H,161,189)(H4,133,134,137)(H4,135,136,138);1H3,(H,3,4)
• InChIKey: MYGHZTKETJHNMQ-UHFFFAOYSA-N
• XLogP: -9.62
• TPSA: 1114.31 Ų
• H-Bond Donors: 37
• H-Bond Acceptors: 36
• Rotatable Bonds: 80
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2834.33
LogP ≤ 5	-9.62
H-Bond Donors ≤ 5	37
H-Bond Acceptors ≤ 10	36

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 acetic acid;N-[1-[[1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[[1-[[2-[2-[[1-[[1-[2-[2-[2-[[1-[[1-[[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[2-[[2-[[2-[(2-amino-5-carbamimidamidopentanoyl)amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]butanediamide?

The IUPAC name of acetic acid;N-[1-[[1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[[1-[[2-[2-[[1-[[1-[2-[2-[2-[[1-[[1-[[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[2-[[2-[[2-[(2-amino-5-carbamimidamidopentanoyl)amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]butanediamide (CID 171341100) is acetic acid;N-[1-[[1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[[1-[[2-[2-[[1-[[1-[2-[2-[2-[[1-[[1-[[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[2-[[2-[[2-[(2-amino-5-carbamimidamidopentanoyl)amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]butanediamide.

What is the SMILES notation for acetic acid;N-[1-[[1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[[1-[[2-[2-[[1-[[1-[2-[2-[2-[[1-[[1-[[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[2-[[2-[[2-[(2-amino-5-carbamimidamidopentanoyl)amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]butanediamide?

The canonical SMILES for acetic acid;N-[1-[[1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[[1-[[2-[2-[[1-[[1-[2-[2-[2-[[1-[[1-[[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[2-[[2-[[2-[(2-amino-5-carbamimidamidopentanoyl)amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]butanediamide is CC(=O)O.[H]/N=C(\N)NCCCC(N)C(=O)NCC(=O)NC(CCCN/C(N)=N/[H])C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(C)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(N)=O)C(C)C)C(C)O.

What is the InChIKey of acetic acid;N-[1-[[1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[[1-[[2-[2-[[1-[[1-[2-[2-[2-[[1-[[1-[[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[2-[[2-[[2-[(2-amino-5-carbamimidamidopentanoyl)amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]butanediamide?

The InChIKey is MYGHZTKETJHNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H205N37O32.C2H4O2/c1-62(2)46-81(110(181)143-60-101(174)162-42-24-32-92(162)121(192)160-102(68(13)14)122(193)158-90(51-67(11)12)124(195)164-44-26-34-94(164)126(197)165-45-27-35-95(165)125(196)163-43-25-33-93(163)120(191)147-72(18)107(178)152-83(48-64(5)6)112(183)146-71(17)106(177)151-82(47-63(3)4)111(182)144-69(15)104(132)175)153-113(184)84(49-65(7)8)154-115(186)86(52-74-36-38-76(168)39-37-74)149-99(172)57-140-105(176)70(16)145-119(190)91(61-166)159-117(188)89(55-97(131)170)156-114(185)85(50-66(9)10)157-123(194)103(73(19)167)161-118(189)87(53-75-56-139-79-30-21-20-28-77(75)79)155-116(187)88(54-96(130)169)150-100(173)59-142-109(180)80(31-23-41-138-128(135)136)148-98(171)58-141-108(179)78(129)29-22-40-137-127(133)134;1-2(3)4/h20-21,28,30,36-39,56,62-73,78,80-95,102-103,139,166-168H,22-27,29,31-35,40-55,57-61,129H2,1-19H3,(H2,130,169)(H2,131,170)(H2,132,175)(H,140,176)(H,141,179)(H,142,180)(H,143,181)(H,144,182)(H,145,190)(H,146,183)(H,147,191)(H,148,171)(H,149,172)(H,150,173)(H,151,177)(H,152,178)(H,153,184)(H,154,186)(H,155,187)(H,156,185)(H,157,194)(H,158,193)(H,159,188)(H,160,192)(H,161,189)(H4,133,134,137)(H4,135,136,138);1H3,(H,3,4).

What are the key properties of acetic acid;N-[1-[[1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[[1-[[2-[2-[[1-[[1-[2-[2-[2-[[1-[[1-[[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[2-[[2-[[2-[(2-amino-5-carbamimidamidopentanoyl)amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]butanediamide?

acetic acid;N-[1-[[1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[[1-[[2-[2-[[1-[[1-[2-[2-[2-[[1-[[1-[[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[2-[[2-[[2-[(2-amino-5-carbamimidamidopentanoyl)amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]butanediamide has a molecular weight of 2834.33 g/mol, XLogP of -9.62, 80 rotatable bonds, 37 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;N-[1-[[1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[[1-[[2-[2-[[1-[[1-[2-[2-[2-[[1-[[1-[[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[2-[[2-[[2-[(2-amino-5-carbamimidamidopentanoyl)amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]butanediamide is sourced from PubChem (CID 171341100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).