2-[(3R,8R,11S,14S,17S,23S,26S,29S,32S,35S,38S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-8-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-23-(4-aminobutyl)-32-(3-carbamimidamidopropyl)-17-[(1R)-1-hydroxyethyl]-11-(hydroxymethyl)-14,26,35-tris(2-methylsulfanylethyl)-2,10,13,16,19,22,25,28,31,34,37-undecaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30,33,36-undecazabicyclo[36.3.0]hentetracontan-29-yl]acetic acid

C133H197N35O30S5 — CID 155535573

About 2-[(3R,8R,11S,14S,17S,23S,26S,29S,32S,35S,38S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-8-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-23-(4-aminobutyl)-32-(3-carbamimidamidopropyl)-17-[(1R)-1-hydroxyethyl]-11-(hydroxymethyl)-14,26,35-tris(2-methylsulfanylethyl)-2,10,13,16,19,22,25,28,31,34,37-undecaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30,33,36-undecazabicyclo[36.3.0]hentetracontan-29-yl]acetic acid

2-[(3R,8R,11S,14S,17S,23S,26S,29S,32S,35S,38S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-8-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-23-(4-aminobutyl)-32-(3-carbamimidamidopropyl)-17-[(1R)-1-hydroxyethyl]-11-(hydroxymethyl)-14,26,35-tris(2-methylsulfanylethyl)-2,10,13,16,19,22,25,28,31,34,37-undecaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30,33,36-undecazabicyclo[36.3.0]hentetracontan-29-yl]acetic acid (PubChem CID 155535573) has the molecular formula C133H197N35O30S5 and a molecular weight of 2926.59 g/mol. Its IUPAC name is 2-[(3R,8R,11S,14S,17S,23S,26S,29S,32S,35S,38S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-8-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-23-(4-aminobutyl)-32-(3-carbamimidamidopropyl)-17-[(1R)-1-hydroxyethyl]-11-(hydroxymethyl)-14,26,35-tris(2-methylsulfanylethyl)-2,10,13,16,19,22,25,28,31,34,37-undecaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30,33,36-undecazabicyclo[36.3.0]hentetracontan-29-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[(3R,8R,11S,14S,17S,23S,26S,29S,32S,35S,38S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-8-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-23-(4-aminobutyl)-32-(3-carbamimidamidopropyl)-17-[(1R)-1-hydroxyethyl]-11-(hydroxymethyl)-14,26,35-tris(2-methylsulfanylethyl)-2,10,13,16,19,22,25,28,31,34,37-undecaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30,33,36-undecazabicyclo[36.3.0]hentetracontan-29-yl]acetic acid
• PubChem CID: 155535573
• Molecular Formula: C133H197N35O30S5
• Molecular Weight: 2926.59 g/mol
• Exact Mass: 2924.36
• IUPAC Name: 2-[(3R,8R,11S,14S,17S,23S,26S,29S,32S,35S,38S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-8-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-23-(4-aminobutyl)-32-(3-carbamimidamidopropyl)-17-[(1R)-1-hydroxyethyl]-11-(hydroxymethyl)-14,26,35-tris(2-methylsulfanylethyl)-2,10,13,16,19,22,25,28,31,34,37-undecaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30,33,36-undecazabicyclo[36.3.0]hentetracontan-29-yl]acetic acid
• SMILES: [H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CCCN2C1=O
• InChI: InChI=1S/C133H197N35O30S5/c1-72(2)107(128(195)154-88(39-22-25-52-136)112(179)156-94(110(137)177)59-76-29-12-10-13-30-76)166-123(190)98(63-80-66-145-85-36-19-17-34-83(80)85)161-129(196)108(73(3)4)167-126(193)102-70-202-203-71-103(164-120(187)95(60-77-31-14-11-15-32-77)158-121(188)97(62-79-65-144-84-35-18-16-33-82(79)84)159-113(180)87(38-21-24-51-135)150-119(186)96(61-78-43-45-81(173)46-44-78)157-114(181)90(41-27-54-143-133(140)141)151-124(191)100(68-169)147-75(6)172)131(198)168-55-28-42-104(168)127(194)153-92(48-57-200-8)117(184)149-89(40-26-53-142-132(138)139)115(182)160-99(64-106(175)176)122(189)152-91(47-56-199-7)116(183)148-86(37-20-23-50-134)111(178)146-67-105(174)165-109(74(5)171)130(197)155-93(49-58-201-9)118(185)162-101(69-170)125(192)163-102/h10-19,29-36,43-46,65-66,72-74,86-104,107-109,144-145,169-171,173H,20-28,37-42,47-64,67-71,134-136H2,1-9H3,(H2,137,177)(H,146,178)(H,147,172)(H,148,183)(H,149,184)(H,150,186)(H,151,191)(H,152,189)(H,153,194)(H,154,195)(H,155,197)(H,156,179)(H,157,181)(H,158,188)(H,159,180)(H,160,182)(H,161,196)(H,162,185)(H,163,192)(H,164,187)(H,165,174)(H,166,190)(H,167,193)(H,175,176)(H4,138,139,142)(H4,140,141,143)/t74-,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,107+,108+,109+/m1/s1
• InChIKey: OYXAVWMKRULXTC-BJDAFJLYSA-N
• XLogP: -5.62
• TPSA: 1055.26 Ų
• H-Bond Donors: 39
• H-Bond Acceptors: 39
• Rotatable Bonds: 70
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2926.59
LogP ≤ 5	-5.62
H-Bond Donors ≤ 5	39
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', '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 2-[(3R,8R,11S,14S,17S,23S,26S,29S,32S,35S,38S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-8-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-23-(4-aminobutyl)-32-(3-carbamimidamidopropyl)-17-[(1R)-1-hydroxyethyl]-11-(hydroxymethyl)-14,26,35-tris(2-methylsulfanylethyl)-2,10,13,16,19,22,25,28,31,34,37-undecaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30,33,36-undecazabicyclo[36.3.0]hentetracontan-29-yl]acetic acid?

The IUPAC name of 2-[(3R,8R,11S,14S,17S,23S,26S,29S,32S,35S,38S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-8-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-23-(4-aminobutyl)-32-(3-carbamimidamidopropyl)-17-[(1R)-1-hydroxyethyl]-11-(hydroxymethyl)-14,26,35-tris(2-methylsulfanylethyl)-2,10,13,16,19,22,25,28,31,34,37-undecaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30,33,36-undecazabicyclo[36.3.0]hentetracontan-29-yl]acetic acid (CID 155535573) is 2-[(3R,8R,11S,14S,17S,23S,26S,29S,32S,35S,38S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-8-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-23-(4-aminobutyl)-32-(3-carbamimidamidopropyl)-17-[(1R)-1-hydroxyethyl]-11-(hydroxymethyl)-14,26,35-tris(2-methylsulfanylethyl)-2,10,13,16,19,22,25,28,31,34,37-undecaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30,33,36-undecazabicyclo[36.3.0]hentetracontan-29-yl]acetic acid.

What is the SMILES notation for 2-[(3R,8R,11S,14S,17S,23S,26S,29S,32S,35S,38S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-8-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-23-(4-aminobutyl)-32-(3-carbamimidamidopropyl)-17-[(1R)-1-hydroxyethyl]-11-(hydroxymethyl)-14,26,35-tris(2-methylsulfanylethyl)-2,10,13,16,19,22,25,28,31,34,37-undecaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30,33,36-undecazabicyclo[36.3.0]hentetracontan-29-yl]acetic acid?

The canonical SMILES for 2-[(3R,8R,11S,14S,17S,23S,26S,29S,32S,35S,38S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-8-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-23-(4-aminobutyl)-32-(3-carbamimidamidopropyl)-17-[(1R)-1-hydroxyethyl]-11-(hydroxymethyl)-14,26,35-tris(2-methylsulfanylethyl)-2,10,13,16,19,22,25,28,31,34,37-undecaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30,33,36-undecazabicyclo[36.3.0]hentetracontan-29-yl]acetic acid is [H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CCCN2C1=O.

What is the InChIKey of 2-[(3R,8R,11S,14S,17S,23S,26S,29S,32S,35S,38S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-8-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-23-(4-aminobutyl)-32-(3-carbamimidamidopropyl)-17-[(1R)-1-hydroxyethyl]-11-(hydroxymethyl)-14,26,35-tris(2-methylsulfanylethyl)-2,10,13,16,19,22,25,28,31,34,37-undecaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30,33,36-undecazabicyclo[36.3.0]hentetracontan-29-yl]acetic acid?

The InChIKey is OYXAVWMKRULXTC-BJDAFJLYSA-N. The full InChI is InChI=1S/C133H197N35O30S5/c1-72(2)107(128(195)154-88(39-22-25-52-136)112(179)156-94(110(137)177)59-76-29-12-10-13-30-76)166-123(190)98(63-80-66-145-85-36-19-17-34-83(80)85)161-129(196)108(73(3)4)167-126(193)102-70-202-203-71-103(164-120(187)95(60-77-31-14-11-15-32-77)158-121(188)97(62-79-65-144-84-35-18-16-33-82(79)84)159-113(180)87(38-21-24-51-135)150-119(186)96(61-78-43-45-81(173)46-44-78)157-114(181)90(41-27-54-143-133(140)141)151-124(191)100(68-169)147-75(6)172)131(198)168-55-28-42-104(168)127(194)153-92(48-57-200-8)117(184)149-89(40-26-53-142-132(138)139)115(182)160-99(64-106(175)176)122(189)152-91(47-56-199-7)116(183)148-86(37-20-23-50-134)111(178)146-67-105(174)165-109(74(5)171)130(197)155-93(49-58-201-9)118(185)162-101(69-170)125(192)163-102/h10-19,29-36,43-46,65-66,72-74,86-104,107-109,144-145,169-171,173H,20-28,37-42,47-64,67-71,134-136H2,1-9H3,(H2,137,177)(H,146,178)(H,147,172)(H,148,183)(H,149,184)(H,150,186)(H,151,191)(H,152,189)(H,153,194)(H,154,195)(H,155,197)(H,156,179)(H,157,181)(H,158,188)(H,159,180)(H,160,182)(H,161,196)(H,162,185)(H,163,192)(H,164,187)(H,165,174)(H,166,190)(H,167,193)(H,175,176)(H4,138,139,142)(H4,140,141,143)/t74-,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,107+,108+,109+/m1/s1.

What are the key properties of 2-[(3R,8R,11S,14S,17S,23S,26S,29S,32S,35S,38S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-8-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-23-(4-aminobutyl)-32-(3-carbamimidamidopropyl)-17-[(1R)-1-hydroxyethyl]-11-(hydroxymethyl)-14,26,35-tris(2-methylsulfanylethyl)-2,10,13,16,19,22,25,28,31,34,37-undecaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30,33,36-undecazabicyclo[36.3.0]hentetracontan-29-yl]acetic acid?

2-[(3R,8R,11S,14S,17S,23S,26S,29S,32S,35S,38S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-8-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-23-(4-aminobutyl)-32-(3-carbamimidamidopropyl)-17-[(1R)-1-hydroxyethyl]-11-(hydroxymethyl)-14,26,35-tris(2-methylsulfanylethyl)-2,10,13,16,19,22,25,28,31,34,37-undecaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30,33,36-undecazabicyclo[36.3.0]hentetracontan-29-yl]acetic acid has a molecular weight of 2926.59 g/mol, XLogP of -5.62, 70 rotatable bonds, 39 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R,8R,11S,14S,17S,23S,26S,29S,32S,35S,38S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-8-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-23-(4-aminobutyl)-32-(3-carbamimidamidopropyl)-17-[(1R)-1-hydroxyethyl]-11-(hydroxymethyl)-14,26,35-tris(2-methylsulfanylethyl)-2,10,13,16,19,22,25,28,31,34,37-undecaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30,33,36-undecazabicyclo[36.3.0]hentetracontan-29-yl]acetic acid is sourced from PubChem (CID 155535573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).