2-[[1-[1-[6-amino-2-[[2-[[2-[2-[2-[3-[[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[[2-[bis[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-3-oxopropyl]-[2-[[6-[[(3E)-3-hydroxyimino-4-[2-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]oxyethylamino]-4-methylpentyl]amino]-6-oxohexanoyl]amino]acetyl]amino]propanoylamino]acetyl]amino]propanoylamino]ethoxy]ethoxy]acetyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;molecular hydrogen

C171H301N51O54 — CID 172917255

About 2-[[1-[1-[6-amino-2-[[2-[[2-[2-[2-[3-[[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[[2-[bis[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-3-oxopropyl]-[2-[[6-[[(3E)-3-hydroxyimino-4-[2-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]oxyethylamino]-4-methylpentyl]amino]-6-oxohexanoyl]amino]acetyl]amino]propanoylamino]acetyl]amino]propanoylamino]ethoxy]ethoxy]acetyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;molecular hydrogen

2-[[1-[1-[6-amino-2-[[2-[[2-[2-[2-[3-[[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[[2-[bis[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-3-oxopropyl]-[2-[[6-[[(3E)-3-hydroxyimino-4-[2-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]oxyethylamino]-4-methylpentyl]amino]-6-oxohexanoyl]amino]acetyl]amino]propanoylamino]acetyl]amino]propanoylamino]ethoxy]ethoxy]acetyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;molecular hydrogen (PubChem CID 172917255) has the molecular formula C171H301N51O54 and a molecular weight of 3935.59 g/mol. Its IUPAC name is 2-[[1-[1-[6-amino-2-[[2-[[2-[2-[2-[3-[[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[[2-[bis[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-3-oxopropyl]-[2-[[6-[[(3E)-3-hydroxyimino-4-[2-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]oxyethylamino]-4-methylpentyl]amino]-6-oxohexanoyl]amino]acetyl]amino]propanoylamino]acetyl]amino]propanoylamino]ethoxy]ethoxy]acetyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[[1-[1-[6-amino-2-[[2-[[2-[2-[2-[3-[[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[[2-[bis[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-3-oxopropyl]-[2-[[6-[[(3E)-3-hydroxyimino-4-[2-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]oxyethylamino]-4-methylpentyl]amino]-6-oxohexanoyl]amino]acetyl]amino]propanoylamino]acetyl]amino]propanoylamino]ethoxy]ethoxy]acetyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;molecular hydrogen
• PubChem CID: 172917255
• Molecular Formula: C171H301N51O54
• Molecular Weight: 3935.59 g/mol
• Exact Mass: 3933.24
• IUPAC Name: 2-[[1-[1-[6-amino-2-[[2-[[2-[2-[2-[3-[[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[[2-[bis[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-3-oxopropyl]-[2-[[6-[[(3E)-3-hydroxyimino-4-[2-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]oxyethylamino]-4-methylpentyl]amino]-6-oxohexanoyl]amino]acetyl]amino]propanoylamino]acetyl]amino]propanoylamino]ethoxy]ethoxy]acetyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;molecular hydrogen
• SMILES: [H]/N=C(\N)NCCCC(NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(NC(=O)COCCOCCNC(=O)CCN(CCC(=O)NCCOCCOCC(=O)NC(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CCCN/C(N)=N/[H])C(=O)O)C(C)O)C(=O)CNC(=O)CCN(CCC(=O)NCC(=O)N(CCC(=O)NCCOCCOCC(=O)NC(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CCCN/C(N)=N/[H])C(=O)O)C(C)O)CCC(=O)NCCOCCOCC(=O)NC(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CCCN/C(N)=N/[H])C(=O)O)C(C)O)C(=O)CNC(=O)CCCCC(=O)NCC/C(=N\O)C(C)(C)NCCONC(C)(C)/C(C)=N/O)C(C)O)C(=O)O.[H][H].[H][H]
• InChI: InChI=1S/C171H297N51O54.2H2/c1-105(223)142(150(246)197-110(32-12-16-57-172)154(250)219-75-28-44-122(219)158(254)215-71-24-40-118(215)146(242)201-114(162(258)259)36-20-61-189-166(176)177)205-135(235)101-272-94-90-268-85-66-185-129(229)51-79-212(80-52-130(230)186-67-86-269-91-95-273-102-136(236)206-143(106(2)224)151(247)198-111(33-13-17-58-173)155(251)220-76-29-45-123(220)159(255)216-72-25-41-119(216)147(243)202-115(163(260)261)37-21-62-190-167(178)179)140(240)99-194-133(233)55-83-214(139(239)98-193-128(228)49-11-10-48-127(227)184-65-50-126(210-267)171(8,9)196-70-89-276-211-170(6,7)109(5)209-266)84-56-134(234)195-100-141(241)213(81-53-131(231)187-68-87-270-92-96-274-103-137(237)207-144(107(3)225)152(248)199-112(34-14-18-59-174)156(252)221-77-30-46-124(221)160(256)217-73-26-42-120(217)148(244)203-116(164(262)263)38-22-63-191-168(180)181)82-54-132(232)188-69-88-271-93-97-275-104-138(238)208-145(108(4)226)153(249)200-113(35-15-19-60-175)157(253)222-78-31-47-125(222)161(257)218-74-27-43-121(218)149(245)204-117(165(264)265)39-23-64-192-169(182)183;;/h105-108,110-125,142-145,196,211,223-226,266-267H,10-104,172-175H2,1-9H3,(H,184,227)(H,185,229)(H,186,230)(H,187,231)(H,188,232)(H,193,228)(H,194,233)(H,195,234)(H,197,246)(H,198,247)(H,199,248)(H,200,249)(H,201,242)(H,202,243)(H,203,244)(H,204,245)(H,205,235)(H,206,236)(H,207,237)(H,208,238)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H4,176,177,189)(H4,178,179,190)(H4,180,181,191)(H4,182,183,192);2*1H/b209-109+,210-126+
• InChIKey: KWJPGGHZCMZXRM-ZNQSYJOXSA-N
• XLogP: -16.16
• TPSA: 1559.52 Ų
• H-Bond Donors: 48
• H-Bond Acceptors: 62
• Rotatable Bonds: 140
• Heavy Atoms: 276
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3935.59
LogP ≤ 5	-16.16
H-Bond Donors ≤ 5	48
H-Bond Acceptors ≤ 10	62

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[1-[6-amino-2-[[2-[[2-[2-[2-[3-[[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[[2-[bis[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-3-oxopropyl]-[2-[[6-[[(3E)-3-hydroxyimino-4-[2-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]oxyethylamino]-4-methylpentyl]amino]-6-oxohexanoyl]amino]acetyl]amino]propanoylamino]acetyl]amino]propanoylamino]ethoxy]ethoxy]acetyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;molecular hydrogen?

The IUPAC name of 2-[[1-[1-[6-amino-2-[[2-[[2-[2-[2-[3-[[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[[2-[bis[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-3-oxopropyl]-[2-[[6-[[(3E)-3-hydroxyimino-4-[2-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]oxyethylamino]-4-methylpentyl]amino]-6-oxohexanoyl]amino]acetyl]amino]propanoylamino]acetyl]amino]propanoylamino]ethoxy]ethoxy]acetyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;molecular hydrogen (CID 172917255) is 2-[[1-[1-[6-amino-2-[[2-[[2-[2-[2-[3-[[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[[2-[bis[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-3-oxopropyl]-[2-[[6-[[(3E)-3-hydroxyimino-4-[2-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]oxyethylamino]-4-methylpentyl]amino]-6-oxohexanoyl]amino]acetyl]amino]propanoylamino]acetyl]amino]propanoylamino]ethoxy]ethoxy]acetyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;molecular hydrogen.

What is the SMILES notation for 2-[[1-[1-[6-amino-2-[[2-[[2-[2-[2-[3-[[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[[2-[bis[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-3-oxopropyl]-[2-[[6-[[(3E)-3-hydroxyimino-4-[2-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]oxyethylamino]-4-methylpentyl]amino]-6-oxohexanoyl]amino]acetyl]amino]propanoylamino]acetyl]amino]propanoylamino]ethoxy]ethoxy]acetyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;molecular hydrogen?

The canonical SMILES for 2-[[1-[1-[6-amino-2-[[2-[[2-[2-[2-[3-[[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[[2-[bis[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-3-oxopropyl]-[2-[[6-[[(3E)-3-hydroxyimino-4-[2-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]oxyethylamino]-4-methylpentyl]amino]-6-oxohexanoyl]amino]acetyl]amino]propanoylamino]acetyl]amino]propanoylamino]ethoxy]ethoxy]acetyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;molecular hydrogen is [H]/N=C(\N)NCCCC(NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(NC(=O)COCCOCCNC(=O)CCN(CCC(=O)NCCOCCOCC(=O)NC(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CCCN/C(N)=N/[H])C(=O)O)C(C)O)C(=O)CNC(=O)CCN(CCC(=O)NCC(=O)N(CCC(=O)NCCOCCOCC(=O)NC(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CCCN/C(N)=N/[H])C(=O)O)C(C)O)CCC(=O)NCCOCCOCC(=O)NC(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CCCN/C(N)=N/[H])C(=O)O)C(C)O)C(=O)CNC(=O)CCCCC(=O)NCC/C(=N\O)C(C)(C)NCCONC(C)(C)/C(C)=N/O)C(C)O)C(=O)O.[H][H].[H][H].

What is the InChIKey of 2-[[1-[1-[6-amino-2-[[2-[[2-[2-[2-[3-[[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[[2-[bis[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-3-oxopropyl]-[2-[[6-[[(3E)-3-hydroxyimino-4-[2-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]oxyethylamino]-4-methylpentyl]amino]-6-oxohexanoyl]amino]acetyl]amino]propanoylamino]acetyl]amino]propanoylamino]ethoxy]ethoxy]acetyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;molecular hydrogen?

The InChIKey is KWJPGGHZCMZXRM-ZNQSYJOXSA-N. The full InChI is InChI=1S/C171H297N51O54.2H2/c1-105(223)142(150(246)197-110(32-12-16-57-172)154(250)219-75-28-44-122(219)158(254)215-71-24-40-118(215)146(242)201-114(162(258)259)36-20-61-189-166(176)177)205-135(235)101-272-94-90-268-85-66-185-129(229)51-79-212(80-52-130(230)186-67-86-269-91-95-273-102-136(236)206-143(106(2)224)151(247)198-111(33-13-17-58-173)155(251)220-76-29-45-123(220)159(255)216-72-25-41-119(216)147(243)202-115(163(260)261)37-21-62-190-167(178)179)140(240)99-194-133(233)55-83-214(139(239)98-193-128(228)49-11-10-48-127(227)184-65-50-126(210-267)171(8,9)196-70-89-276-211-170(6,7)109(5)209-266)84-56-134(234)195-100-141(241)213(81-53-131(231)187-68-87-270-92-96-274-103-137(237)207-144(107(3)225)152(248)199-112(34-14-18-59-174)156(252)221-77-30-46-124(221)160(256)217-73-26-42-120(217)148(244)203-116(164(262)263)38-22-63-191-168(180)181)82-54-132(232)188-69-88-271-93-97-275-104-138(238)208-145(108(4)226)153(249)200-113(35-15-19-60-175)157(253)222-78-31-47-125(222)161(257)218-74-27-43-121(218)149(245)204-117(165(264)265)39-23-64-192-169(182)183;;/h105-108,110-125,142-145,196,211,223-226,266-267H,10-104,172-175H2,1-9H3,(H,184,227)(H,185,229)(H,186,230)(H,187,231)(H,188,232)(H,193,228)(H,194,233)(H,195,234)(H,197,246)(H,198,247)(H,199,248)(H,200,249)(H,201,242)(H,202,243)(H,203,244)(H,204,245)(H,205,235)(H,206,236)(H,207,237)(H,208,238)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H4,176,177,189)(H4,178,179,190)(H4,180,181,191)(H4,182,183,192);2*1H/b209-109+,210-126+;;.

What are the key properties of 2-[[1-[1-[6-amino-2-[[2-[[2-[2-[2-[3-[[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[[2-[bis[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-3-oxopropyl]-[2-[[6-[[(3E)-3-hydroxyimino-4-[2-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]oxyethylamino]-4-methylpentyl]amino]-6-oxohexanoyl]amino]acetyl]amino]propanoylamino]acetyl]amino]propanoylamino]ethoxy]ethoxy]acetyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;molecular hydrogen?

2-[[1-[1-[6-amino-2-[[2-[[2-[2-[2-[3-[[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[[2-[bis[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-3-oxopropyl]-[2-[[6-[[(3E)-3-hydroxyimino-4-[2-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]oxyethylamino]-4-methylpentyl]amino]-6-oxohexanoyl]amino]acetyl]amino]propanoylamino]acetyl]amino]propanoylamino]ethoxy]ethoxy]acetyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;molecular hydrogen has a molecular weight of 3935.59 g/mol, XLogP of -16.16, 140 rotatable bonds, 48 hydrogen bond donors, and 62 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-[1-[6-amino-2-[[2-[[2-[2-[2-[3-[[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[[2-[bis[3-[2-[2-[2-[[1-[[6-amino-1-[2-[2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-3-oxopropyl]-[2-[[6-[[(3E)-3-hydroxyimino-4-[2-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]oxyethylamino]-4-methylpentyl]amino]-6-oxohexanoyl]amino]acetyl]amino]propanoylamino]acetyl]amino]propanoylamino]ethoxy]ethoxy]acetyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoic acid;molecular hydrogen is sourced from PubChem (CID 172917255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).