2-[(4R,7S,10S,13S,19R,22S,25S,28S,31S,37R)-37-[[(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]-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]-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-19-(2-methylpropyl)-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

C130H192N34O30S5 — CID 155546036

About 2-[(4R,7S,10S,13S,19R,22S,25S,28S,31S,37R)-37-[[(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]-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]-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-19-(2-methylpropyl)-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,19R,22S,25S,28S,31S,37R)-37-[[(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]-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]-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-19-(2-methylpropyl)-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 155546036) has the molecular formula C130H192N34O30S5 and a molecular weight of 2871.51 g/mol. Its IUPAC name is 2-[(4R,7S,10S,13S,19R,22S,25S,28S,31S,37R)-37-[[(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]-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]-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-19-(2-methylpropyl)-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,19R,22S,25S,28S,31S,37R)-37-[[(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]-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]-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-19-(2-methylpropyl)-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: 155546036
• Molecular Formula: C130H192N34O30S5
• Molecular Weight: 2871.51 g/mol
• Exact Mass: 2869.31
• IUPAC Name: 2-[(4R,7S,10S,13S,19R,22S,25S,28S,31S,37R)-37-[[(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]-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]-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-19-(2-methylpropyl)-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](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](CC(C)C)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/C130H192N34O30S5/c1-69(2)54-92-109(175)142-64-103(171)162-107(72(7)167)128(194)151-90(46-53-197-11)117(183)159-99(66-166)124(190)161-101(125(191)164-106(71(5)6)127(193)158-96(59-78-62-141-83-35-21-19-33-81(78)83)122(188)163-105(70(3)4)126(192)150-85(37-23-25-48-132)111(177)152-91(108(133)174)55-74-28-14-12-15-29-74)68-199-198-67-100(110(176)143-63-102(170)145-88(44-51-195-9)115(181)146-86(38-26-49-138-129(134)135)114(180)157-97(60-104(172)173)121(187)149-89(45-52-196-10)116(182)153-92)160-119(185)93(56-75-30-16-13-17-31-75)155-120(186)95(58-77-61-140-82-34-20-18-32-80(77)82)156-112(178)84(36-22-24-47-131)147-118(184)94(57-76-40-42-79(169)43-41-76)154-113(179)87(39-27-50-139-130(136)137)148-123(189)98(65-165)144-73(8)168/h12-21,28-35,40-43,61-62,69-72,84-101,105-107,140-141,165-167,169H,22-27,36-39,44-60,63-68,131-132H2,1-11H3,(H2,133,174)(H,142,175)(H,143,176)(H,144,168)(H,145,170)(H,146,181)(H,147,184)(H,148,189)(H,149,187)(H,150,192)(H,151,194)(H,152,177)(H,153,182)(H,154,179)(H,155,186)(H,156,178)(H,157,180)(H,158,193)(H,159,183)(H,160,185)(H,161,190)(H,162,171)(H,163,188)(H,164,191)(H,172,173)(H4,134,135,138)(H4,136,137,139)/t72-,84+,85+,86+,87+,88+,89+,90+,91+,92-,93+,94+,95+,96+,97+,98+,99+,100+,101+,105+,106+,107+/m1/s1
• InChIKey: BYEIOOLUVDZFJP-JRWYPKRBSA-N
• XLogP: -5.58
• TPSA: 1038.03 Ų
• H-Bond Donors: 39
• H-Bond Acceptors: 38
• Rotatable Bonds: 68
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2871.51
LogP ≤ 5	-5.58
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,19R,22S,25S,28S,31S,37R)-37-[[(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]-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]-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-19-(2-methylpropyl)-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,19R,22S,25S,28S,31S,37R)-37-[[(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]-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]-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-19-(2-methylpropyl)-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 155546036) is 2-[(4R,7S,10S,13S,19R,22S,25S,28S,31S,37R)-37-[[(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]-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]-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-19-(2-methylpropyl)-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,19R,22S,25S,28S,31S,37R)-37-[[(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]-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]-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-19-(2-methylpropyl)-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,19R,22S,25S,28S,31S,37R)-37-[[(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]-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]-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-19-(2-methylpropyl)-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](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](CC(C)C)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,19R,22S,25S,28S,31S,37R)-37-[[(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]-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]-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-19-(2-methylpropyl)-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 BYEIOOLUVDZFJP-JRWYPKRBSA-N. The full InChI is InChI=1S/C130H192N34O30S5/c1-69(2)54-92-109(175)142-64-103(171)162-107(72(7)167)128(194)151-90(46-53-197-11)117(183)159-99(66-166)124(190)161-101(125(191)164-106(71(5)6)127(193)158-96(59-78-62-141-83-35-21-19-33-81(78)83)122(188)163-105(70(3)4)126(192)150-85(37-23-25-48-132)111(177)152-91(108(133)174)55-74-28-14-12-15-29-74)68-199-198-67-100(110(176)143-63-102(170)145-88(44-51-195-9)115(181)146-86(38-26-49-138-129(134)135)114(180)157-97(60-104(172)173)121(187)149-89(45-52-196-10)116(182)153-92)160-119(185)93(56-75-30-16-13-17-31-75)155-120(186)95(58-77-61-140-82-34-20-18-32-80(77)82)156-112(178)84(36-22-24-47-131)147-118(184)94(57-76-40-42-79(169)43-41-76)154-113(179)87(39-27-50-139-130(136)137)148-123(189)98(65-165)144-73(8)168/h12-21,28-35,40-43,61-62,69-72,84-101,105-107,140-141,165-167,169H,22-27,36-39,44-60,63-68,131-132H2,1-11H3,(H2,133,174)(H,142,175)(H,143,176)(H,144,168)(H,145,170)(H,146,181)(H,147,184)(H,148,189)(H,149,187)(H,150,192)(H,151,194)(H,152,177)(H,153,182)(H,154,179)(H,155,186)(H,156,178)(H,157,180)(H,158,193)(H,159,183)(H,160,185)(H,161,190)(H,162,171)(H,163,188)(H,164,191)(H,172,173)(H4,134,135,138)(H4,136,137,139)/t72-,84+,85+,86+,87+,88+,89+,90+,91+,92-,93+,94+,95+,96+,97+,98+,99+,100+,101+,105+,106+,107+/m1/s1.

What are the key properties of 2-[(4R,7S,10S,13S,19R,22S,25S,28S,31S,37R)-37-[[(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]-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]-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-19-(2-methylpropyl)-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,19R,22S,25S,28S,31S,37R)-37-[[(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]-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]-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-19-(2-methylpropyl)-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 2871.51 g/mol, XLogP of -5.58, 68 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,19R,22S,25S,28S,31S,37R)-37-[[(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]-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]-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-19-(2-methylpropyl)-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 155546036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).