5-[[6-amino-1-[[1-[[1-[2-[[4-amino-1-[[1-[[4-amino-1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[2-[[5-amino-2-[[2-[[2-[[2-[2-[[2-[[5-amino-2-[[1-[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid

C149H226N42O39 — CID 172641490

About 5-[[6-amino-1-[[1-[[1-[2-[[4-amino-1-[[1-[[4-amino-1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[2-[[5-amino-2-[[2-[[2-[[2-[2-[[2-[[5-amino-2-[[1-[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid

5-[[6-amino-1-[[1-[[1-[2-[[4-amino-1-[[1-[[4-amino-1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[2-[[5-amino-2-[[2-[[2-[[2-[2-[[2-[[5-amino-2-[[1-[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid (PubChem CID 172641490) has the molecular formula C149H226N42O39 and a molecular weight of 3229.70 g/mol. Its IUPAC name is 5-[[6-amino-1-[[1-[[1-[2-[[4-amino-1-[[1-[[4-amino-1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[2-[[5-amino-2-[[2-[[2-[[2-[2-[[2-[[5-amino-2-[[1-[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 5-[[6-amino-1-[[1-[[1-[2-[[4-amino-1-[[1-[[4-amino-1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[2-[[5-amino-2-[[2-[[2-[[2-[2-[[2-[[5-amino-2-[[1-[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid
• PubChem CID: 172641490
• Molecular Formula: C149H226N42O39
• Molecular Weight: 3229.70 g/mol
• Exact Mass: 3227.70
• IUPAC Name: 5-[[6-amino-1-[[1-[[1-[2-[[4-amino-1-[[1-[[4-amino-1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[2-[[5-amino-2-[[2-[[2-[[2-[2-[[2-[[5-amino-2-[[1-[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid
• SMILES: [H]/N=C(\N)NCCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CC(N)=O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(N)=O)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(C)NC(=O)CNC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C1CCCN1C(=O)C(N)C(C)CC)C(C)C)C(C)C)C(=O)NC(Cc1ccccc1)C(N)=O
• InChI: InChI=1S/C149H226N42O39/c1-15-79(12)119(156)147(230)191-58-30-40-107(191)140(223)168-81(14)145(228)189-56-28-41-108(189)141(224)174-92(47-50-110(151)194)124(207)165-71-115(199)167-80(13)123(206)187-120(77(8)9)144(227)184-97(60-75(4)5)138(221)188-121(78(10)11)143(226)175-93(48-51-111(152)195)129(212)171-90(38-26-54-162-148(158)159)126(209)173-94(49-52-117(201)202)130(213)170-89(37-24-25-53-150)128(211)182-104(69-118(203)204)137(220)185-105(61-76(6)7)146(229)190-57-29-42-109(190)142(225)183-103(68-114(155)198)135(218)178-99(64-84-43-45-86(193)46-44-84)132(215)180-101(66-112(153)196)134(217)179-100(65-85-70-164-88-36-23-22-35-87(85)88)133(216)181-102(67-113(154)197)136(219)186-106(73-192)139(222)177-98(63-83-33-20-17-21-34-83)125(208)166-72-116(200)169-96(59-74(2)3)131(214)172-91(39-27-55-163-149(160)161)127(210)176-95(122(157)205)62-82-31-18-16-19-32-82/h16-23,31-36,43-46,70,74-81,89-109,119-121,164,192-193H,15,24-30,37-42,47-69,71-73,150,156H2,1-14H3,(H2,151,194)(H2,152,195)(H2,153,196)(H2,154,197)(H2,155,198)(H2,157,205)(H,165,207)(H,166,208)(H,167,199)(H,168,223)(H,169,200)(H,170,213)(H,171,212)(H,172,214)(H,173,209)(H,174,224)(H,175,226)(H,176,210)(H,177,222)(H,178,218)(H,179,217)(H,180,215)(H,181,216)(H,182,211)(H,183,225)(H,184,227)(H,185,220)(H,186,219)(H,187,206)(H,188,221)(H,201,202)(H,203,204)(H4,158,159,162)(H4,160,161,163)
• InChIKey: XMNRNPIODXMGIZ-UHFFFAOYSA-N
• XLogP: -11.49
• TPSA: 1324.56 Ų
• H-Bond Donors: 43
• H-Bond Acceptors: 41
• Rotatable Bonds: 100
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3229.70
LogP ≤ 5	-11.49
H-Bond Donors ≤ 5	43
H-Bond Acceptors ≤ 10	41

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 5-[[6-amino-1-[[1-[[1-[2-[[4-amino-1-[[1-[[4-amino-1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[2-[[5-amino-2-[[2-[[2-[[2-[2-[[2-[[5-amino-2-[[1-[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid?

The IUPAC name of 5-[[6-amino-1-[[1-[[1-[2-[[4-amino-1-[[1-[[4-amino-1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[2-[[5-amino-2-[[2-[[2-[[2-[2-[[2-[[5-amino-2-[[1-[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid (CID 172641490) is 5-[[6-amino-1-[[1-[[1-[2-[[4-amino-1-[[1-[[4-amino-1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[2-[[5-amino-2-[[2-[[2-[[2-[2-[[2-[[5-amino-2-[[1-[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid.

What is the SMILES notation for 5-[[6-amino-1-[[1-[[1-[2-[[4-amino-1-[[1-[[4-amino-1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[2-[[5-amino-2-[[2-[[2-[[2-[2-[[2-[[5-amino-2-[[1-[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid?

The canonical SMILES for 5-[[6-amino-1-[[1-[[1-[2-[[4-amino-1-[[1-[[4-amino-1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[2-[[5-amino-2-[[2-[[2-[[2-[2-[[2-[[5-amino-2-[[1-[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid is [H]/N=C(\N)NCCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CC(N)=O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(N)=O)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(C)NC(=O)CNC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C1CCCN1C(=O)C(N)C(C)CC)C(C)C)C(C)C)C(=O)NC(Cc1ccccc1)C(N)=O.

What is the InChIKey of 5-[[6-amino-1-[[1-[[1-[2-[[4-amino-1-[[1-[[4-amino-1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[2-[[5-amino-2-[[2-[[2-[[2-[2-[[2-[[5-amino-2-[[1-[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid?

The InChIKey is XMNRNPIODXMGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C149H226N42O39/c1-15-79(12)119(156)147(230)191-58-30-40-107(191)140(223)168-81(14)145(228)189-56-28-41-108(189)141(224)174-92(47-50-110(151)194)124(207)165-71-115(199)167-80(13)123(206)187-120(77(8)9)144(227)184-97(60-75(4)5)138(221)188-121(78(10)11)143(226)175-93(48-51-111(152)195)129(212)171-90(38-26-54-162-148(158)159)126(209)173-94(49-52-117(201)202)130(213)170-89(37-24-25-53-150)128(211)182-104(69-118(203)204)137(220)185-105(61-76(6)7)146(229)190-57-29-42-109(190)142(225)183-103(68-114(155)198)135(218)178-99(64-84-43-45-86(193)46-44-84)132(215)180-101(66-112(153)196)134(217)179-100(65-85-70-164-88-36-23-22-35-87(85)88)133(216)181-102(67-113(154)197)136(219)186-106(73-192)139(222)177-98(63-83-33-20-17-21-34-83)125(208)166-72-116(200)169-96(59-74(2)3)131(214)172-91(39-27-55-163-149(160)161)127(210)176-95(122(157)205)62-82-31-18-16-19-32-82/h16-23,31-36,43-46,70,74-81,89-109,119-121,164,192-193H,15,24-30,37-42,47-69,71-73,150,156H2,1-14H3,(H2,151,194)(H2,152,195)(H2,153,196)(H2,154,197)(H2,155,198)(H2,157,205)(H,165,207)(H,166,208)(H,167,199)(H,168,223)(H,169,200)(H,170,213)(H,171,212)(H,172,214)(H,173,209)(H,174,224)(H,175,226)(H,176,210)(H,177,222)(H,178,218)(H,179,217)(H,180,215)(H,181,216)(H,182,211)(H,183,225)(H,184,227)(H,185,220)(H,186,219)(H,187,206)(H,188,221)(H,201,202)(H,203,204)(H4,158,159,162)(H4,160,161,163).

What are the key properties of 5-[[6-amino-1-[[1-[[1-[2-[[4-amino-1-[[1-[[4-amino-1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[2-[[5-amino-2-[[2-[[2-[[2-[2-[[2-[[5-amino-2-[[1-[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid?

5-[[6-amino-1-[[1-[[1-[2-[[4-amino-1-[[1-[[4-amino-1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[2-[[5-amino-2-[[2-[[2-[[2-[2-[[2-[[5-amino-2-[[1-[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid has a molecular weight of 3229.70 g/mol, XLogP of -11.49, 100 rotatable bonds, 43 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[6-amino-1-[[1-[[1-[2-[[4-amino-1-[[1-[[4-amino-1-[[1-[[4-amino-1-[[1-[[1-[[2-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[2-[[5-amino-2-[[2-[[2-[[2-[2-[[2-[[5-amino-2-[[1-[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 172641490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).