2-[(4R,7S,10S,13S,19R,22S,25S,28S,31S,34S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-34-methyl-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

C125H182N36O30S5 — CID 155542575

About 2-[(4R,7S,10S,13S,19R,22S,25S,28S,31S,34S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-34-methyl-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,34S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-34-methyl-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 155542575) has the molecular formula C125H182N36O30S5 and a molecular weight of 2829.39 g/mol. Its IUPAC name is 2-[(4R,7S,10S,13S,19R,22S,25S,28S,31S,34S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-34-methyl-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,34S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-34-methyl-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: 155542575
• Molecular Formula: C125H182N36O30S5
• Molecular Weight: 2829.39 g/mol
• Exact Mass: 2827.24
• IUPAC Name: 2-[(4R,7S,10S,13S,19R,22S,25S,28S,31S,34S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-34-methyl-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]1NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CO)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)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)NC1=O
• InChI: InChI=1S/C125H182N36O30S5/c1-65(2)101(123(190)148-83(31-21-42-128)107(174)150-88(103(129)170)47-70-23-11-10-12-24-70)161-118(185)91(50-73-55-136-80-28-16-14-26-78(73)80)151-105(172)67(4)141-122(189)98-62-196-195-61-97(158-116(183)93(52-75-57-133-64-139-75)154-114(181)90(49-72-54-135-79-27-15-13-25-77(72)79)153-108(175)82(30-18-20-41-127)146-113(180)89(48-71-33-35-76(166)36-34-71)152-115(182)92(51-74-56-132-63-138-74)155-119(186)95(59-162)142-69(6)165)121(188)140-66(3)104(171)143-85(37-44-192-7)110(177)145-84(32-22-43-134-125(130)131)109(176)156-94(53-100(168)169)117(184)147-86(38-45-193-8)111(178)144-81(29-17-19-40-126)106(173)137-58-99(167)160-102(68(5)164)124(191)149-87(39-46-194-9)112(179)157-96(60-163)120(187)159-98/h10-16,23-28,33-36,54-57,63-68,81-98,101-102,135-136,162-164,166H,17-22,29-32,37-53,58-62,126-128H2,1-9H3,(H2,129,170)(H,132,138)(H,133,139)(H,137,173)(H,140,188)(H,141,189)(H,142,165)(H,143,171)(H,144,178)(H,145,177)(H,146,180)(H,147,184)(H,148,190)(H,149,191)(H,150,174)(H,151,172)(H,152,182)(H,153,175)(H,154,181)(H,155,186)(H,156,176)(H,157,179)(H,158,183)(H,159,187)(H,160,167)(H,161,185)(H,168,169)(H4,130,131,134)/t66-,67-,68+,81+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,101-,102-/m0/s1
• InChIKey: XKCNNWXLVDONEC-ZYHITCMUSA-N
• XLogP: -7.71
• TPSA: 1059.51 Ų
• H-Bond Donors: 39
• H-Bond Acceptors: 40
• Rotatable Bonds: 66
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2829.39
LogP ≤ 5	-7.71
H-Bond Donors ≤ 5	39
H-Bond Acceptors ≤ 10	40

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,34S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-34-methyl-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,34S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-34-methyl-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 155542575) is 2-[(4R,7S,10S,13S,19R,22S,25S,28S,31S,34S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-34-methyl-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,34S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-34-methyl-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,34S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-34-methyl-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]1NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CO)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)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)NC1=O.

What is the InChIKey of 2-[(4R,7S,10S,13S,19R,22S,25S,28S,31S,34S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-34-methyl-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 XKCNNWXLVDONEC-ZYHITCMUSA-N. The full InChI is InChI=1S/C125H182N36O30S5/c1-65(2)101(123(190)148-83(31-21-42-128)107(174)150-88(103(129)170)47-70-23-11-10-12-24-70)161-118(185)91(50-73-55-136-80-28-16-14-26-78(73)80)151-105(172)67(4)141-122(189)98-62-196-195-61-97(158-116(183)93(52-75-57-133-64-139-75)154-114(181)90(49-72-54-135-79-27-15-13-25-77(72)79)153-108(175)82(30-18-20-41-127)146-113(180)89(48-71-33-35-76(166)36-34-71)152-115(182)92(51-74-56-132-63-138-74)155-119(186)95(59-162)142-69(6)165)121(188)140-66(3)104(171)143-85(37-44-192-7)110(177)145-84(32-22-43-134-125(130)131)109(176)156-94(53-100(168)169)117(184)147-86(38-45-193-8)111(178)144-81(29-17-19-40-126)106(173)137-58-99(167)160-102(68(5)164)124(191)149-87(39-46-194-9)112(179)157-96(60-163)120(187)159-98/h10-16,23-28,33-36,54-57,63-68,81-98,101-102,135-136,162-164,166H,17-22,29-32,37-53,58-62,126-128H2,1-9H3,(H2,129,170)(H,132,138)(H,133,139)(H,137,173)(H,140,188)(H,141,189)(H,142,165)(H,143,171)(H,144,178)(H,145,177)(H,146,180)(H,147,184)(H,148,190)(H,149,191)(H,150,174)(H,151,172)(H,152,182)(H,153,175)(H,154,181)(H,155,186)(H,156,176)(H,157,179)(H,158,183)(H,159,187)(H,160,167)(H,161,185)(H,168,169)(H4,130,131,134)/t66-,67-,68+,81+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,101-,102-/m0/s1.

What are the key properties of 2-[(4R,7S,10S,13S,19R,22S,25S,28S,31S,34S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-34-methyl-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,34S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-34-methyl-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 2829.39 g/mol, XLogP of -7.71, 66 rotatable bonds, 39 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R,7S,10S,13S,19R,22S,25S,28S,31S,34S,37R)-37-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-19-(4-aminobutyl)-28-(3-carbamimidamidopropyl)-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-34-methyl-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 155542575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).