[4-[[(2S)-2-[4-[[(2S)-2-[[(2R,3R)-2,3-bis[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-[[(2S)-1-[[4-[[(2S)-1-[4-[[[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazaniumyl]methyl]anilino]-1-oxopropan-2-yl]amino]-4-oxobutyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]butanoylamino]propanoyl]amino]phenyl]methyl-[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazanium diformate

C158H222F2N22O48 — CID 175923571

About [4-[[(2S)-2-[4-[[(2S)-2-[[(2R,3R)-2,3-bis[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-[[(2S)-1-[[4-[[(2S)-1-[4-[[[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazaniumyl]methyl]anilino]-1-oxopropan-2-yl]amino]-4-oxobutyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]butanoylamino]propanoyl]amino]phenyl]methyl-[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazanium diformate

[4-[[(2S)-2-[4-[[(2S)-2-[[(2R,3R)-2,3-bis[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-[[(2S)-1-[[4-[[(2S)-1-[4-[[[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazaniumyl]methyl]anilino]-1-oxopropan-2-yl]amino]-4-oxobutyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]butanoylamino]propanoyl]amino]phenyl]methyl-[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazanium diformate (PubChem CID 175923571) has the molecular formula C158H222F2N22O48 and a molecular weight of 3235.62 g/mol. Its IUPAC name is [4-[[(2S)-2-[4-[[(2S)-2-[[(2R,3R)-2,3-bis[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-[[(2S)-1-[[4-[[(2S)-1-[4-[[[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazaniumyl]methyl]anilino]-1-oxopropan-2-yl]amino]-4-oxobutyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]butanoylamino]propanoyl]amino]phenyl]methyl-[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazanium diformate.

Molecular Properties

• Compound Name: [4-[[(2S)-2-[4-[[(2S)-2-[[(2R,3R)-2,3-bis[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-[[(2S)-1-[[4-[[(2S)-1-[4-[[[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazaniumyl]methyl]anilino]-1-oxopropan-2-yl]amino]-4-oxobutyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]butanoylamino]propanoyl]amino]phenyl]methyl-[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazanium diformate
• PubChem CID: 175923571
• Molecular Formula: C158H222F2N22O48
• Molecular Weight: 3235.62 g/mol
• Exact Mass: 3233.56
• IUPAC Name: [4-[[(2S)-2-[4-[[(2S)-2-[[(2R,3R)-2,3-bis[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-[[(2S)-1-[[4-[[(2S)-1-[4-[[[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazaniumyl]methyl]anilino]-1-oxopropan-2-yl]amino]-4-oxobutyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]butanoylamino]propanoyl]amino]phenyl]methyl-[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazanium diformate
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(OC)cc1c2CN1CCC([N+](C)(C)Cc2ccc(NC(=O)[C@H](C)NC(=O)CCCNC(=O)[C@H](CCCCNC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOC)NC(=O)[C@H](NC(=O)CCCN3C(=O)C=CC3=O)[C@@H](NC(=O)CCCN3C(=O)C=CC3=O)C(=O)N[C@@H](CCCCNC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOC)C(=O)NCCCC(=O)N[C@@H](C)C(=O)Nc3ccc(C[N+](C)(C)C4CCN(Cc5c6c(nc7cc(F)c(OC)cc57)-c5cc7c(c(=O)n5C6)COC(=O)[C@]7(O)CC)CC4)cc3)cc2)CC1.O=C[O-].O=C[O-]
• InChI: InChI=1S/C156H218F2N22O44.2CH2O2/c1-13-155(201)119-89-127-141-115(95-177(127)151(197)117(119)99-223-153(155)199)113(111-87-129(205-11)121(157)91-125(111)167-141)93-173-51-41-109(42-52-173)179(5,6)97-105-29-33-107(34-30-105)165-145(191)103(3)163-131(181)25-19-47-161-147(193)123(23-15-17-45-159-135(185)101-221-85-83-219-81-79-217-77-75-215-73-71-213-69-67-211-65-63-209-61-59-207-57-55-203-9)169-149(195)143(171-133(183)27-21-49-175-137(187)37-38-138(175)188)144(172-134(184)28-22-50-176-139(189)39-40-140(176)190)150(196)170-124(24-16-18-46-160-136(186)102-222-86-84-220-82-80-218-78-76-216-74-72-214-70-68-212-66-64-210-62-60-208-58-56-204-10)148(194)162-48-20-26-132(182)164-104(4)146(192)166-108-35-31-106(32-36-108)98-180(7,8)110-43-53-174(54-44-110)94-114-112-88-130(206-12)122(158)92-126(112)168-142-116(114)96-178-128(142)90-120-118(152(178)198)100-224-154(200)156(120,202)14-2;2*2-1-3/h29-40,87-92,103-104,109-110,123-124,143-144,201-202H,13-28,41-86,93-102H2,1-12H3,(H10-2,159,160,161,162,163,164,165,166,169,170,171,172,181,182,183,184,185,186,191,192,193,194,195,196);2*1H,(H,2,3)/t103-,104-,123-,124-,143+,144+,155-,156-;;/m0../s1
• InChIKey: BMARSHFJIMDDCO-ZPJQJPBKSA-N
• XLogP: 0.84
• TPSA: 858.14 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 54
• Rotatable Bonds: 107
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3235.62
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[[(2S)-2-[4-[[(2S)-2-[[(2R,3R)-2,3-bis[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-[[(2S)-1-[[4-[[(2S)-1-[4-[[[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazaniumyl]methyl]anilino]-1-oxopropan-2-yl]amino]-4-oxobutyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]butanoylamino]propanoyl]amino]phenyl]methyl-[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazanium diformate?

The IUPAC name of [4-[[(2S)-2-[4-[[(2S)-2-[[(2R,3R)-2,3-bis[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-[[(2S)-1-[[4-[[(2S)-1-[4-[[[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazaniumyl]methyl]anilino]-1-oxopropan-2-yl]amino]-4-oxobutyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]butanoylamino]propanoyl]amino]phenyl]methyl-[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazanium diformate (CID 175923571) is [4-[[(2S)-2-[4-[[(2S)-2-[[(2R,3R)-2,3-bis[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-[[(2S)-1-[[4-[[(2S)-1-[4-[[[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazaniumyl]methyl]anilino]-1-oxopropan-2-yl]amino]-4-oxobutyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]butanoylamino]propanoyl]amino]phenyl]methyl-[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazanium diformate.

What is the SMILES notation for [4-[[(2S)-2-[4-[[(2S)-2-[[(2R,3R)-2,3-bis[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-[[(2S)-1-[[4-[[(2S)-1-[4-[[[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazaniumyl]methyl]anilino]-1-oxopropan-2-yl]amino]-4-oxobutyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]butanoylamino]propanoyl]amino]phenyl]methyl-[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazanium diformate?

The canonical SMILES for [4-[[(2S)-2-[4-[[(2S)-2-[[(2R,3R)-2,3-bis[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-[[(2S)-1-[[4-[[(2S)-1-[4-[[[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazaniumyl]methyl]anilino]-1-oxopropan-2-yl]amino]-4-oxobutyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]butanoylamino]propanoyl]amino]phenyl]methyl-[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazanium diformate is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(OC)cc1c2CN1CCC([N+](C)(C)Cc2ccc(NC(=O)[C@H](C)NC(=O)CCCNC(=O)[C@H](CCCCNC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOC)NC(=O)[C@H](NC(=O)CCCN3C(=O)C=CC3=O)[C@@H](NC(=O)CCCN3C(=O)C=CC3=O)C(=O)N[C@@H](CCCCNC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOC)C(=O)NCCCC(=O)N[C@@H](C)C(=O)Nc3ccc(C[N+](C)(C)C4CCN(Cc5c6c(nc7cc(F)c(OC)cc57)-c5cc7c(c(=O)n5C6)COC(=O)[C@]7(O)CC)CC4)cc3)cc2)CC1.O=C[O-].O=C[O-].

What is the InChIKey of [4-[[(2S)-2-[4-[[(2S)-2-[[(2R,3R)-2,3-bis[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-[[(2S)-1-[[4-[[(2S)-1-[4-[[[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazaniumyl]methyl]anilino]-1-oxopropan-2-yl]amino]-4-oxobutyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]butanoylamino]propanoyl]amino]phenyl]methyl-[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazanium diformate?

The InChIKey is BMARSHFJIMDDCO-ZPJQJPBKSA-N. The full InChI is InChI=1S/C156H218F2N22O44.2CH2O2/c1-13-155(201)119-89-127-141-115(95-177(127)151(197)117(119)99-223-153(155)199)113(111-87-129(205-11)121(157)91-125(111)167-141)93-173-51-41-109(42-52-173)179(5,6)97-105-29-33-107(34-30-105)165-145(191)103(3)163-131(181)25-19-47-161-147(193)123(23-15-17-45-159-135(185)101-221-85-83-219-81-79-217-77-75-215-73-71-213-69-67-211-65-63-209-61-59-207-57-55-203-9)169-149(195)143(171-133(183)27-21-49-175-137(187)37-38-138(175)188)144(172-134(184)28-22-50-176-139(189)39-40-140(176)190)150(196)170-124(24-16-18-46-160-136(186)102-222-86-84-220-82-80-218-78-76-216-74-72-214-70-68-212-66-64-210-62-60-208-58-56-204-10)148(194)162-48-20-26-132(182)164-104(4)146(192)166-108-35-31-106(32-36-108)98-180(7,8)110-43-53-174(54-44-110)94-114-112-88-130(206-12)122(158)92-126(112)168-142-116(114)96-178-128(142)90-120-118(152(178)198)100-224-154(200)156(120,202)14-2;2*2-1-3/h29-40,87-92,103-104,109-110,123-124,143-144,201-202H,13-28,41-86,93-102H2,1-12H3,(H10-2,159,160,161,162,163,164,165,166,169,170,171,172,181,182,183,184,185,186,191,192,193,194,195,196);2*1H,(H,2,3)/t103-,104-,123-,124-,143+,144+,155-,156-;;/m0../s1.

What are the key properties of [4-[[(2S)-2-[4-[[(2S)-2-[[(2R,3R)-2,3-bis[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-[[(2S)-1-[[4-[[(2S)-1-[4-[[[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazaniumyl]methyl]anilino]-1-oxopropan-2-yl]amino]-4-oxobutyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]butanoylamino]propanoyl]amino]phenyl]methyl-[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazanium diformate?

[4-[[(2S)-2-[4-[[(2S)-2-[[(2R,3R)-2,3-bis[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-[[(2S)-1-[[4-[[(2S)-1-[4-[[[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazaniumyl]methyl]anilino]-1-oxopropan-2-yl]amino]-4-oxobutyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]butanoylamino]propanoyl]amino]phenyl]methyl-[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazanium diformate has a molecular weight of 3235.62 g/mol, XLogP of 0.84, 107 rotatable bonds, 14 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[(2S)-2-[4-[[(2S)-2-[[(2R,3R)-2,3-bis[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-4-[[(2S)-1-[[4-[[(2S)-1-[4-[[[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazaniumyl]methyl]anilino]-1-oxopropan-2-yl]amino]-4-oxobutyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoyl]amino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]butanoylamino]propanoyl]amino]phenyl]methyl-[1-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl]piperidin-4-yl]-dimethylazanium diformate is sourced from PubChem (CID 175923571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).