(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(4R,7S,13S,16S,19S,22S,25S,28S,31S,34R)-34-[[(2S)-2-amino-3-methylbutanoyl]amino]-16,25-bis[(2S)-butan-2-yl]-13-(3-carbamimidamidopropyl)-31-(2-carboxyethyl)-22,28-bis(1H-imidazol-5-ylmethyl)-7,19-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoic acid

C119H189N39O27S3 — CID 86573412

About (2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(4R,7S,13S,16S,19S,22S,25S,28S,31S,34R)-34-[[(2S)-2-amino-3-methylbutanoyl]amino]-16,25-bis[(2S)-butan-2-yl]-13-(3-carbamimidamidopropyl)-31-(2-carboxyethyl)-22,28-bis(1H-imidazol-5-ylmethyl)-7,19-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoic acid

(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(4R,7S,13S,16S,19S,22S,25S,28S,31S,34R)-34-[[(2S)-2-amino-3-methylbutanoyl]amino]-16,25-bis[(2S)-butan-2-yl]-13-(3-carbamimidamidopropyl)-31-(2-carboxyethyl)-22,28-bis(1H-imidazol-5-ylmethyl)-7,19-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoic acid (PubChem CID 86573412) has the molecular formula C119H189N39O27S3 and a molecular weight of 2694.27 g/mol. Its IUPAC name is (2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(4R,7S,13S,16S,19S,22S,25S,28S,31S,34R)-34-[[(2S)-2-amino-3-methylbutanoyl]amino]-16,25-bis[(2S)-butan-2-yl]-13-(3-carbamimidamidopropyl)-31-(2-carboxyethyl)-22,28-bis(1H-imidazol-5-ylmethyl)-7,19-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoic acid.

Molecular Properties

• Compound Name: (2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(4R,7S,13S,16S,19S,22S,25S,28S,31S,34R)-34-[[(2S)-2-amino-3-methylbutanoyl]amino]-16,25-bis[(2S)-butan-2-yl]-13-(3-carbamimidamidopropyl)-31-(2-carboxyethyl)-22,28-bis(1H-imidazol-5-ylmethyl)-7,19-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoic acid
• PubChem CID: 86573412
• Molecular Formula: C119H189N39O27S3
• Molecular Weight: 2694.27 g/mol
• Exact Mass: 2692.38
• IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(4R,7S,13S,16S,19S,22S,25S,28S,31S,34R)-34-[[(2S)-2-amino-3-methylbutanoyl]amino]-16,25-bis[(2S)-butan-2-yl]-13-(3-carbamimidamidopropyl)-31-(2-carboxyethyl)-22,28-bis(1H-imidazol-5-ylmethyl)-7,19-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoic acid
• SMILES: [H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1)[C@@H](C)CC)C(=O)O
• InChI: InChI=1S/C119H189N39O27S3/c1-16-64(12)94-114(181)142-74(24-21-34-131-118(122)123)97(164)133-51-91(161)139-79(37-60(4)5)101(168)154-89(53-187-188-54-90(155-113(180)93(121)63(10)11)111(178)140-76(30-31-92(162)163)99(166)149-87(45-72-50-130-59-138-72)109(176)158-96(66(14)18-3)116(183)152-86(44-71-49-129-58-137-71)105(172)146-81(39-62(8)9)107(174)156-94)112(179)151-84(42-69-47-127-56-135-69)104(171)150-83(41-68-46-126-55-134-68)103(170)145-80(38-61(6)7)102(169)141-77(32-36-186-15)100(167)148-85(43-70-48-128-57-136-70)106(173)153-88(52-159)110(177)147-82(40-67-26-28-73(160)29-27-67)108(175)157-95(65(13)17-2)115(182)143-75(23-19-20-33-120)98(165)144-78(117(184)185)25-22-35-132-119(124)125/h26-29,46-50,55-66,74-90,93-96,159-160H,16-25,30-45,51-54,120-121H2,1-15H3,(H,126,134)(H,127,135)(H,128,136)(H,129,137)(H,130,138)(H,133,164)(H,139,161)(H,140,178)(H,141,169)(H,142,181)(H,143,182)(H,144,165)(H,145,170)(H,146,172)(H,147,177)(H,148,167)(H,149,166)(H,150,171)(H,151,179)(H,152,183)(H,153,173)(H,154,168)(H,155,180)(H,156,174)(H,157,175)(H,158,176)(H,162,163)(H,184,185)(H4,122,123,131)(H4,124,125,132)/t64-,65-,66-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,93-,94-,95-,96-/m0/s1
• InChIKey: BMUUBJNKPOBVBK-VNSCQXMZSA-N
• XLogP: -5.42
• TPSA: 1045.40 Ų
• H-Bond Donors: 38
• H-Bond Acceptors: 37
• Rotatable Bonds: 67
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2694.27
LogP ≤ 5	-5.42
H-Bond Donors ≤ 5	38
H-Bond Acceptors ≤ 10	37

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 (2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(4R,7S,13S,16S,19S,22S,25S,28S,31S,34R)-34-[[(2S)-2-amino-3-methylbutanoyl]amino]-16,25-bis[(2S)-butan-2-yl]-13-(3-carbamimidamidopropyl)-31-(2-carboxyethyl)-22,28-bis(1H-imidazol-5-ylmethyl)-7,19-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoic acid?

The IUPAC name of (2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(4R,7S,13S,16S,19S,22S,25S,28S,31S,34R)-34-[[(2S)-2-amino-3-methylbutanoyl]amino]-16,25-bis[(2S)-butan-2-yl]-13-(3-carbamimidamidopropyl)-31-(2-carboxyethyl)-22,28-bis(1H-imidazol-5-ylmethyl)-7,19-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoic acid (CID 86573412) is (2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(4R,7S,13S,16S,19S,22S,25S,28S,31S,34R)-34-[[(2S)-2-amino-3-methylbutanoyl]amino]-16,25-bis[(2S)-butan-2-yl]-13-(3-carbamimidamidopropyl)-31-(2-carboxyethyl)-22,28-bis(1H-imidazol-5-ylmethyl)-7,19-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoic acid.

What is the SMILES notation for (2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(4R,7S,13S,16S,19S,22S,25S,28S,31S,34R)-34-[[(2S)-2-amino-3-methylbutanoyl]amino]-16,25-bis[(2S)-butan-2-yl]-13-(3-carbamimidamidopropyl)-31-(2-carboxyethyl)-22,28-bis(1H-imidazol-5-ylmethyl)-7,19-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoic acid?

The canonical SMILES for (2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(4R,7S,13S,16S,19S,22S,25S,28S,31S,34R)-34-[[(2S)-2-amino-3-methylbutanoyl]amino]-16,25-bis[(2S)-butan-2-yl]-13-(3-carbamimidamidopropyl)-31-(2-carboxyethyl)-22,28-bis(1H-imidazol-5-ylmethyl)-7,19-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoic acid is [H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1)[C@@H](C)CC)C(=O)O.

What is the InChIKey of (2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(4R,7S,13S,16S,19S,22S,25S,28S,31S,34R)-34-[[(2S)-2-amino-3-methylbutanoyl]amino]-16,25-bis[(2S)-butan-2-yl]-13-(3-carbamimidamidopropyl)-31-(2-carboxyethyl)-22,28-bis(1H-imidazol-5-ylmethyl)-7,19-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoic acid?

The InChIKey is BMUUBJNKPOBVBK-VNSCQXMZSA-N. The full InChI is InChI=1S/C119H189N39O27S3/c1-16-64(12)94-114(181)142-74(24-21-34-131-118(122)123)97(164)133-51-91(161)139-79(37-60(4)5)101(168)154-89(53-187-188-54-90(155-113(180)93(121)63(10)11)111(178)140-76(30-31-92(162)163)99(166)149-87(45-72-50-130-59-138-72)109(176)158-96(66(14)18-3)116(183)152-86(44-71-49-129-58-137-71)105(172)146-81(39-62(8)9)107(174)156-94)112(179)151-84(42-69-47-127-56-135-69)104(171)150-83(41-68-46-126-55-134-68)103(170)145-80(38-61(6)7)102(169)141-77(32-36-186-15)100(167)148-85(43-70-48-128-57-136-70)106(173)153-88(52-159)110(177)147-82(40-67-26-28-73(160)29-27-67)108(175)157-95(65(13)17-2)115(182)143-75(23-19-20-33-120)98(165)144-78(117(184)185)25-22-35-132-119(124)125/h26-29,46-50,55-66,74-90,93-96,159-160H,16-25,30-45,51-54,120-121H2,1-15H3,(H,126,134)(H,127,135)(H,128,136)(H,129,137)(H,130,138)(H,133,164)(H,139,161)(H,140,178)(H,141,169)(H,142,181)(H,143,182)(H,144,165)(H,145,170)(H,146,172)(H,147,177)(H,148,167)(H,149,166)(H,150,171)(H,151,179)(H,152,183)(H,153,173)(H,154,168)(H,155,180)(H,156,174)(H,157,175)(H,158,176)(H,162,163)(H,184,185)(H4,122,123,131)(H4,124,125,132)/t64-,65-,66-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,93-,94-,95-,96-/m0/s1.

What are the key properties of (2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(4R,7S,13S,16S,19S,22S,25S,28S,31S,34R)-34-[[(2S)-2-amino-3-methylbutanoyl]amino]-16,25-bis[(2S)-butan-2-yl]-13-(3-carbamimidamidopropyl)-31-(2-carboxyethyl)-22,28-bis(1H-imidazol-5-ylmethyl)-7,19-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoic acid?

(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(4R,7S,13S,16S,19S,22S,25S,28S,31S,34R)-34-[[(2S)-2-amino-3-methylbutanoyl]amino]-16,25-bis[(2S)-butan-2-yl]-13-(3-carbamimidamidopropyl)-31-(2-carboxyethyl)-22,28-bis(1H-imidazol-5-ylmethyl)-7,19-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoic acid has a molecular weight of 2694.27 g/mol, XLogP of -5.42, 67 rotatable bonds, 38 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(4R,7S,13S,16S,19S,22S,25S,28S,31S,34R)-34-[[(2S)-2-amino-3-methylbutanoyl]amino]-16,25-bis[(2S)-butan-2-yl]-13-(3-carbamimidamidopropyl)-31-(2-carboxyethyl)-22,28-bis(1H-imidazol-5-ylmethyl)-7,19-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoic acid is sourced from PubChem (CID 86573412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).