2-[(4R,7S,10S,19S,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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-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

C128H189N35O29S5 — CID 155526508

About 2-[(4R,7S,10S,19S,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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-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,19S,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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-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 155526508) has the molecular formula C128H189N35O29S5 and a molecular weight of 2842.47 g/mol. Its IUPAC name is 2-[(4R,7S,10S,19S,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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-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,19S,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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-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: 155526508
• Molecular Formula: C128H189N35O29S5
• Molecular Weight: 2842.47 g/mol
• Exact Mass: 2840.30
• IUPAC Name: 2-[(4R,7S,10S,19S,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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-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](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)CNC(=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/C128H189N35O29S5/c1-70(2)105(125(191)152-85(37-21-24-49-131)110(176)153-91(107(132)173)55-73-27-11-9-12-28-73)162-121(187)95(59-77-62-140-82-34-18-16-32-80(77)82)158-126(192)106(71(3)4)163-124(190)100-69-197-196-68-99(160-118(184)92(56-74-29-13-10-14-30-74)155-119(185)94(58-76-61-139-81-33-17-15-31-79(76)81)156-111(177)84(36-20-23-48-130)149-117(183)93(57-75-40-42-78(167)43-41-75)154-112(178)87(39-26-51-138-128(135)136)150-122(188)97(66-164)144-72(5)166)109(175)143-65-103(170)146-88(44-52-193-6)114(180)148-86(38-25-50-137-127(133)134)113(179)157-96(60-104(171)172)120(186)151-90(46-54-195-8)116(182)147-83(35-19-22-47-129)108(174)142-63-101(168)141-64-102(169)145-89(45-53-194-7)115(181)159-98(67-165)123(189)161-100/h9-18,27-34,40-43,61-62,70-71,83-100,105-106,139-140,164-165,167H,19-26,35-39,44-60,63-69,129-131H2,1-8H3,(H2,132,173)(H,141,168)(H,142,174)(H,143,175)(H,144,166)(H,145,169)(H,146,170)(H,147,182)(H,148,180)(H,149,183)(H,150,188)(H,151,186)(H,152,191)(H,153,176)(H,154,178)(H,155,185)(H,156,177)(H,157,179)(H,158,192)(H,159,181)(H,160,184)(H,161,189)(H,162,187)(H,163,190)(H,171,172)(H4,133,134,137)(H4,135,136,138)/t83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,105-,106-/m0/s1
• InChIKey: VPLJJBYOXCIDBY-QUUZOLFTSA-N
• XLogP: -6.24
• TPSA: 1043.82 Ų
• H-Bond Donors: 39
• H-Bond Acceptors: 38
• Rotatable Bonds: 69
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2842.47
LogP ≤ 5	-6.24
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,19S,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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-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,19S,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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-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 155526508) is 2-[(4R,7S,10S,19S,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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-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,19S,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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-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,19S,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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-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](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)CNC(=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,19S,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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-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 VPLJJBYOXCIDBY-QUUZOLFTSA-N. The full InChI is InChI=1S/C128H189N35O29S5/c1-70(2)105(125(191)152-85(37-21-24-49-131)110(176)153-91(107(132)173)55-73-27-11-9-12-28-73)162-121(187)95(59-77-62-140-82-34-18-16-32-80(77)82)158-126(192)106(71(3)4)163-124(190)100-69-197-196-68-99(160-118(184)92(56-74-29-13-10-14-30-74)155-119(185)94(58-76-61-139-81-33-17-15-31-79(76)81)156-111(177)84(36-20-23-48-130)149-117(183)93(57-75-40-42-78(167)43-41-75)154-112(178)87(39-26-51-138-128(135)136)150-122(188)97(66-164)144-72(5)166)109(175)143-65-103(170)146-88(44-52-193-6)114(180)148-86(38-25-50-137-127(133)134)113(179)157-96(60-104(171)172)120(186)151-90(46-54-195-8)116(182)147-83(35-19-22-47-129)108(174)142-63-101(168)141-64-102(169)145-89(45-53-194-7)115(181)159-98(67-165)123(189)161-100/h9-18,27-34,40-43,61-62,70-71,83-100,105-106,139-140,164-165,167H,19-26,35-39,44-60,63-69,129-131H2,1-8H3,(H2,132,173)(H,141,168)(H,142,174)(H,143,175)(H,144,166)(H,145,169)(H,146,170)(H,147,182)(H,148,180)(H,149,183)(H,150,188)(H,151,186)(H,152,191)(H,153,176)(H,154,178)(H,155,185)(H,156,177)(H,157,179)(H,158,192)(H,159,181)(H,160,184)(H,161,189)(H,162,187)(H,163,190)(H,171,172)(H4,133,134,137)(H4,135,136,138)/t83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,105-,106-/m0/s1.

What are the key properties of 2-[(4R,7S,10S,19S,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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-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,19S,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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-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 2842.47 g/mol, XLogP of -6.24, 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,19S,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]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-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 155526508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).