2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-10,22,31-tris(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacont-25-yl]acetic acid

C130H193N35O29S5 — CID 155518338

About 2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-10,22,31-tris(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacont-25-yl]acetic acid

2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-10,22,31-tris(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacont-25-yl]acetic acid (PubChem CID 155518338) has the molecular formula C130H193N35O29S5 and a molecular weight of 2870.52 g/mol. Its IUPAC name is 2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-10,22,31-tris(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacont-25-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-10,22,31-tris(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacont-25-yl]acetic acid
• PubChem CID: 155518338
• Molecular Formula: C130H193N35O29S5
• Molecular Weight: 2870.52 g/mol
• Exact Mass: 2868.33
• IUPAC Name: 2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-10,22,31-tris(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacont-25-yl]acetic acid
• SMILES: [H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](C)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)CNC1=O
• InChI: InChI=1S/C130H193N35O29S5/c1-70(2)105(126(192)152-87(39-23-26-51-133)112(178)154-93(108(134)174)57-75-29-13-11-14-30-75)164-123(189)97(61-79-64-142-84-36-20-18-34-82(79)84)159-127(193)106(71(3)4)165-125(191)101-69-199-198-68-100(161-120(186)94(58-76-31-15-12-16-32-76)156-121(187)96(60-78-63-141-83-35-19-17-33-81(78)83)157-113(179)86(38-22-25-50-132)150-119(185)95(59-77-42-44-80(169)45-43-77)155-114(180)88(40-27-52-139-129(135)136)147-109(175)72(5)145-74(7)168)111(177)144-65-102(170)146-90(46-54-195-8)116(182)149-89(41-28-53-140-130(137)138)115(181)158-98(62-104(172)173)122(188)151-91(47-55-196-9)117(183)148-85(37-21-24-49-131)110(176)143-66-103(171)163-107(73(6)167)128(194)153-92(48-56-197-10)118(184)160-99(67-166)124(190)162-101/h11-20,29-36,42-45,63-64,70-73,85-101,105-107,141-142,166-167,169H,21-28,37-41,46-62,65-69,131-133H2,1-10H3,(H2,134,174)(H,143,176)(H,144,177)(H,145,168)(H,146,170)(H,147,175)(H,148,183)(H,149,182)(H,150,185)(H,151,188)(H,152,192)(H,153,194)(H,154,178)(H,155,180)(H,156,187)(H,157,179)(H,158,181)(H,159,193)(H,160,184)(H,161,186)(H,162,190)(H,163,171)(H,164,189)(H,165,191)(H,172,173)(H4,135,136,139)(H4,137,138,140)/t72-,73+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,105-,106-,107-/m0/s1
• InChIKey: ILFRUBJWEVVJKE-QZUGYRSRSA-N
• XLogP: -5.47
• TPSA: 1043.82 Ų
• H-Bond Donors: 39
• H-Bond Acceptors: 38
• Rotatable Bonds: 69
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2870.52
LogP ≤ 5	-5.47
H-Bond Donors ≤ 5	39
H-Bond Acceptors ≤ 10	38

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-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-10,22,31-tris(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacont-25-yl]acetic acid?

The IUPAC name of 2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-10,22,31-tris(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacont-25-yl]acetic acid (CID 155518338) is 2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-10,22,31-tris(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacont-25-yl]acetic acid.

What is the SMILES notation for 2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-10,22,31-tris(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacont-25-yl]acetic acid?

The canonical SMILES for 2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-10,22,31-tris(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacont-25-yl]acetic acid is [H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](C)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)CNC1=O.

What is the InChIKey of 2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-10,22,31-tris(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacont-25-yl]acetic acid?

The InChIKey is ILFRUBJWEVVJKE-QZUGYRSRSA-N. The full InChI is InChI=1S/C130H193N35O29S5/c1-70(2)105(126(192)152-87(39-23-26-51-133)112(178)154-93(108(134)174)57-75-29-13-11-14-30-75)164-123(189)97(61-79-64-142-84-36-20-18-34-82(79)84)159-127(193)106(71(3)4)165-125(191)101-69-199-198-68-100(161-120(186)94(58-76-31-15-12-16-32-76)156-121(187)96(60-78-63-141-83-35-19-17-33-81(78)83)157-113(179)86(38-22-25-50-132)150-119(185)95(59-77-42-44-80(169)45-43-77)155-114(180)88(40-27-52-139-129(135)136)147-109(175)72(5)145-74(7)168)111(177)144-65-102(170)146-90(46-54-195-8)116(182)149-89(41-28-53-140-130(137)138)115(181)158-98(62-104(172)173)122(188)151-91(47-55-196-9)117(183)148-85(37-21-24-49-131)110(176)143-66-103(171)163-107(73(6)167)128(194)153-92(48-56-197-10)118(184)160-99(67-166)124(190)162-101/h11-20,29-36,42-45,63-64,70-73,85-101,105-107,141-142,166-167,169H,21-28,37-41,46-62,65-69,131-133H2,1-10H3,(H2,134,174)(H,143,176)(H,144,177)(H,145,168)(H,146,170)(H,147,175)(H,148,183)(H,149,182)(H,150,185)(H,151,188)(H,152,192)(H,153,194)(H,154,178)(H,155,180)(H,156,187)(H,157,179)(H,158,181)(H,159,193)(H,160,184)(H,161,186)(H,162,190)(H,163,171)(H,164,189)(H,165,191)(H,172,173)(H4,135,136,139)(H4,137,138,140)/t72-,73+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,105-,106-,107-/m0/s1.

What are the key properties of 2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-10,22,31-tris(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacont-25-yl]acetic acid?

2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-10,22,31-tris(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacont-25-yl]acetic acid has a molecular weight of 2870.52 g/mol, XLogP of -5.47, 69 rotatable bonds, 39 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-10,22,31-tris(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacont-25-yl]acetic acid is sourced from PubChem (CID 155518338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).