(2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid

C136H202N40O26 — CID 53348381

About (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid

(2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid (PubChem CID 53348381) has the molecular formula C136H202N40O26 and a molecular weight of 2813.37 g/mol. Its IUPAC name is (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid.

Molecular Properties

• Compound Name: (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid
• PubChem CID: 53348381
• Molecular Formula: C136H202N40O26
• Molecular Weight: 2813.37 g/mol
• Exact Mass: 2811.57
• IUPAC Name: (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid
• SMILES: [H]/N=C(/N)NCCC[C@@H](N/C(CCCCCC/C(=N/[H])N[C@H](CCCN/C(N)=N/[H])C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C(=O)N1[C@H](C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)O)C[C@@H]2CCCC[C@@H]21)C1Cc2ccccc2C1)C1Cc2ccccc2C1)=N/[H])C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C(=O)N1[C@H](C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)O)C[C@@H]2CCCC[C@@H]21)C1Cc2ccccc2C1)C1Cc2ccccc2C1
• InChI: InChI=1S/C136H202N40O26/c137-105(159-89(35-17-47-151-131(139)140)113(183)161-91(37-19-49-153-133(143)144)123(193)171-53-23-43-99(171)125(195)173-69-87(179)65-101(173)117(187)157-67-107(181)167-109(83-55-73-25-5-6-26-74(73)56-83)121(191)165-95(71-177)115(185)169-111(85-59-77-29-9-10-30-78(77)60-85)127(197)175-97-41-15-13-33-81(97)63-103(175)119(189)163-93(129(199)200)39-21-51-155-135(147)148)45-3-1-2-4-46-106(138)160-90(36-18-48-152-132(141)142)114(184)162-92(38-20-50-154-134(145)146)124(194)172-54-24-44-100(172)126(196)174-70-88(180)66-102(174)118(188)158-68-108(182)168-110(84-57-75-27-7-8-28-76(75)58-84)122(192)166-96(72-178)116(186)170-112(86-61-79-31-11-12-32-80(79)62-86)128(198)176-98-42-16-14-34-82(98)64-104(176)120(190)164-94(130(201)202)40-22-52-156-136(149)150/h5-12,25-32,81-104,109-112,177-180H,1-4,13-24,33-72H2,(H2,137,159)(H2,138,160)(H,157,187)(H,158,188)(H,161,183)(H,162,184)(H,163,189)(H,164,190)(H,165,191)(H,166,192)(H,167,181)(H,168,182)(H,169,185)(H,170,186)(H,199,200)(H,201,202)(H4,139,140,151)(H4,141,142,152)(H4,143,144,153)(H4,145,146,154)(H4,147,148,155)(H4,149,150,156)/t81-,82-,87?,88?,89+,90+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,109-,110-,111+,112+/m0/s1
• InChIKey: UYRCOTSOPWOSJK-RURTVBJCSA-N
• XLogP: -6.10
• TPSA: 1069.74 Ų
• H-Bond Donors: 40
• H-Bond Acceptors: 32
• Rotatable Bonds: 71
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2813.37
LogP ≤ 5	-6.10
H-Bond Donors ≤ 5	40
H-Bond Acceptors ≤ 10	32

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'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid?

The IUPAC name of (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid (CID 53348381) is (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid.

What is the SMILES notation for (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid?

The canonical SMILES for (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid is [H]/N=C(/N)NCCC[C@@H](N/C(CCCCCC/C(=N/[H])N[C@H](CCCN/C(N)=N/[H])C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C(=O)N1[C@H](C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)O)C[C@@H]2CCCC[C@@H]21)C1Cc2ccccc2C1)C1Cc2ccccc2C1)=N/[H])C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C(=O)N1[C@H](C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)O)C[C@@H]2CCCC[C@@H]21)C1Cc2ccccc2C1)C1Cc2ccccc2C1.

What is the InChIKey of (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid?

The InChIKey is UYRCOTSOPWOSJK-RURTVBJCSA-N. The full InChI is InChI=1S/C136H202N40O26/c137-105(159-89(35-17-47-151-131(139)140)113(183)161-91(37-19-49-153-133(143)144)123(193)171-53-23-43-99(171)125(195)173-69-87(179)65-101(173)117(187)157-67-107(181)167-109(83-55-73-25-5-6-26-74(73)56-83)121(191)165-95(71-177)115(185)169-111(85-59-77-29-9-10-30-78(77)60-85)127(197)175-97-41-15-13-33-81(97)63-103(175)119(189)163-93(129(199)200)39-21-51-155-135(147)148)45-3-1-2-4-46-106(138)160-90(36-18-48-152-132(141)142)114(184)162-92(38-20-50-154-134(145)146)124(194)172-54-24-44-100(172)126(196)174-70-88(180)66-102(174)118(188)158-68-108(182)168-110(84-57-75-27-7-8-28-76(75)58-84)122(192)166-96(72-178)116(186)170-112(86-61-79-31-11-12-32-80(79)62-86)128(198)176-98-42-16-14-34-82(98)64-104(176)120(190)164-94(130(201)202)40-22-52-156-136(149)150/h5-12,25-32,81-104,109-112,177-180H,1-4,13-24,33-72H2,(H2,137,159)(H2,138,160)(H,157,187)(H,158,188)(H,161,183)(H,162,184)(H,163,189)(H,164,190)(H,165,191)(H,166,192)(H,167,181)(H,168,182)(H,169,185)(H,170,186)(H,199,200)(H,201,202)(H4,139,140,151)(H4,141,142,152)(H4,143,144,153)(H4,145,146,154)(H4,147,148,155)(H4,149,150,156)/t81-,82-,87?,88?,89+,90+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,109-,110-,111+,112+/m0/s1.

What are the key properties of (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid?

(2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid has a molecular weight of 2813.37 g/mol, XLogP of -6.10, 71 rotatable bonds, 40 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-8-iminooctanimidoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid is sourced from PubChem (CID 53348381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).