5-[[6-[3-[methyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[(2R)-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-2-[[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]propanoylamino]propyl]amino]propylamino]-6-oxohexyl]sulfamoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonic acid

C141H168N41O27S2+ — CID 73387810

About 5-[[6-[3-[methyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[(2R)-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-2-[[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]propanoylamino]propyl]amino]propylamino]-6-oxohexyl]sulfamoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonic acid

5-[[6-[3-[methyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[(2R)-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-2-[[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]propanoylamino]propyl]amino]propylamino]-6-oxohexyl]sulfamoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonic acid (PubChem CID 73387810) has the molecular formula C141H168N41O27S2+ and a molecular weight of 2933.29 g/mol. Its IUPAC name is 5-[[6-[3-[methyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[(2R)-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-2-[[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]propanoylamino]propyl]amino]propylamino]-6-oxohexyl]sulfamoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonic acid.

Molecular Properties

• Compound Name: 5-[[6-[3-[methyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[(2R)-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-2-[[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]propanoylamino]propyl]amino]propylamino]-6-oxohexyl]sulfamoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonic acid
• PubChem CID: 73387810
• Molecular Formula: C141H168N41O27S2+
• Molecular Weight: 2933.29 g/mol
• Exact Mass: 2931.25
• IUPAC Name: 5-[[6-[3-[methyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[(2R)-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-2-[[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]propanoylamino]propyl]amino]propylamino]-6-oxohexyl]sulfamoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonic acid
• SMILES: CN(CCCNC(=O)CCCCCNS(=O)(=O)c1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)c(S(=O)(=O)O)c1)CCCNC(=O)CCNC(=O)c1nc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)[C@@H](CCCC(=O)c5cc(NC(=O)c6nc(NC(=O)c7nccn7C)cn6C)cn5C)NC(=O)COCCOCCNC(=O)c5nc(NC(=O)c6cc(NC(=O)c7cc(NC(=O)c8cc(NC(=O)CCCCC(=O)c9cc(NC(=O)c%10nc(NC(=O)c%11nccn%11C)cn%10C)cn9C)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C
• InChI: InChI=1S/C141H167N41O27S2/c1-166(47-26-40-142-114(185)35-17-16-20-42-148-210(202,203)92-37-38-93(109(68-92)211(204,205)206)118-96-58-82-28-22-49-181-51-24-30-94(119(82)181)121(96)209-122-95-31-25-52-182-50-23-29-83(120(95)182)59-97(118)122)48-27-41-143-115(186)39-43-146-136(196)125-158-110(77-177(125)12)162-134(194)105-66-90(75-175(105)10)154-133(193)104-65-89(74-174(104)9)152-131(191)102-63-87(72-172(102)7)150-129(189)98(32-21-34-108(184)100-61-86(71-170(100)5)156-141(201)128-161-113(80-180(128)15)165-139(199)124-145-45-54-168(124)3)157-117(188)81-208-57-56-207-55-46-147-137(197)126-159-111(78-178(126)13)163-135(195)106-67-91(76-176(106)11)153-132(192)103-64-88(73-173(103)8)151-130(190)101-62-84(69-171(101)6)149-116(187)36-19-18-33-107(183)99-60-85(70-169(99)4)155-140(200)127-160-112(79-179(127)14)164-138(198)123-144-44-53-167(123)2/h37-38,44-45,53-54,58-80,98,148H,16-36,39-43,46-52,55-57,81H2,1-15H3,(H17-,142,143,146,147,149,150,151,152,153,154,155,156,157,162,163,164,165,185,186,187,188,189,190,191,192,193,194,195,196,197,198,199,200,201,204,205,206)/p+1/t98-/m1/s1
• InChIKey: LMYCOPHGBHRSJR-DQPOQURXSA-O
• XLogP: 7.93
• TPSA: 812.92 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 48
• Rotatable Bonds: 66
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2933.29
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[3-[methyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[(2R)-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-2-[[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]propanoylamino]propyl]amino]propylamino]-6-oxohexyl]sulfamoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonic acid?

The IUPAC name of 5-[[6-[3-[methyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[(2R)-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-2-[[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]propanoylamino]propyl]amino]propylamino]-6-oxohexyl]sulfamoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonic acid (CID 73387810) is 5-[[6-[3-[methyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[(2R)-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-2-[[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]propanoylamino]propyl]amino]propylamino]-6-oxohexyl]sulfamoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonic acid.

What is the SMILES notation for 5-[[6-[3-[methyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[(2R)-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-2-[[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]propanoylamino]propyl]amino]propylamino]-6-oxohexyl]sulfamoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonic acid?

The canonical SMILES for 5-[[6-[3-[methyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[(2R)-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-2-[[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]propanoylamino]propyl]amino]propylamino]-6-oxohexyl]sulfamoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonic acid is CN(CCCNC(=O)CCCCCNS(=O)(=O)c1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)c(S(=O)(=O)O)c1)CCCNC(=O)CCNC(=O)c1nc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)[C@@H](CCCC(=O)c5cc(NC(=O)c6nc(NC(=O)c7nccn7C)cn6C)cn5C)NC(=O)COCCOCCNC(=O)c5nc(NC(=O)c6cc(NC(=O)c7cc(NC(=O)c8cc(NC(=O)CCCCC(=O)c9cc(NC(=O)c%10nc(NC(=O)c%11nccn%11C)cn%10C)cn9C)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C.

What is the InChIKey of 5-[[6-[3-[methyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[(2R)-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-2-[[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]propanoylamino]propyl]amino]propylamino]-6-oxohexyl]sulfamoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonic acid?

The InChIKey is LMYCOPHGBHRSJR-DQPOQURXSA-O. The full InChI is InChI=1S/C141H167N41O27S2/c1-166(47-26-40-142-114(185)35-17-16-20-42-148-210(202,203)92-37-38-93(109(68-92)211(204,205)206)118-96-58-82-28-22-49-181-51-24-30-94(119(82)181)121(96)209-122-95-31-25-52-182-50-23-29-83(120(95)182)59-97(118)122)48-27-41-143-115(186)39-43-146-136(196)125-158-110(77-177(125)12)162-134(194)105-66-90(75-175(105)10)154-133(193)104-65-89(74-174(104)9)152-131(191)102-63-87(72-172(102)7)150-129(189)98(32-21-34-108(184)100-61-86(71-170(100)5)156-141(201)128-161-113(80-180(128)15)165-139(199)124-145-45-54-168(124)3)157-117(188)81-208-57-56-207-55-46-147-137(197)126-159-111(78-178(126)13)163-135(195)106-67-91(76-176(106)11)153-132(192)103-64-88(73-173(103)8)151-130(190)101-62-84(69-171(101)6)149-116(187)36-19-18-33-107(183)99-60-85(70-169(99)4)155-140(200)127-160-112(79-179(127)14)164-138(198)123-144-44-53-167(123)2/h37-38,44-45,53-54,58-80,98,148H,16-36,39-43,46-52,55-57,81H2,1-15H3,(H17-,142,143,146,147,149,150,151,152,153,154,155,156,157,162,163,164,165,185,186,187,188,189,190,191,192,193,194,195,196,197,198,199,200,201,204,205,206)/p+1/t98-/m1/s1.

What are the key properties of 5-[[6-[3-[methyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[(2R)-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-2-[[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]propanoylamino]propyl]amino]propylamino]-6-oxohexyl]sulfamoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonic acid?

5-[[6-[3-[methyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[(2R)-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-2-[[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]propanoylamino]propyl]amino]propylamino]-6-oxohexyl]sulfamoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonic acid has a molecular weight of 2933.29 g/mol, XLogP of 7.93, 66 rotatable bonds, 19 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[6-[3-[methyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[(2R)-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-2-[[2-[2-[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-oxohexanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]propanoylamino]propyl]amino]propylamino]-6-oxohexyl]sulfamoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonic acid is sourced from PubChem (CID 73387810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).