5-[[6-[3-[3-[3-[[4-[[4-[[4-[[4-[[(2R)-2-[[2-[2-[2-[[4-[[4-[[4-[[4-[[(2R)-2-amino-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]propyl-methylamino]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

C141H169N42O27S2+ — CID 73387808

About 5-[[6-[3-[3-[3-[[4-[[4-[[4-[[4-[[(2R)-2-[[2-[2-[2-[[4-[[4-[[4-[[4-[[(2R)-2-amino-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]propyl-methylamino]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-[3-[3-[[4-[[4-[[4-[[4-[[(2R)-2-[[2-[2-[2-[[4-[[4-[[4-[[4-[[(2R)-2-amino-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]propyl-methylamino]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 73387808) has the molecular formula C141H169N42O27S2+ and a molecular weight of 2948.30 g/mol. Its IUPAC name is 5-[[6-[3-[3-[3-[[4-[[4-[[4-[[4-[[(2R)-2-[[2-[2-[2-[[4-[[4-[[4-[[4-[[(2R)-2-amino-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]propyl-methylamino]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-[3-[3-[[4-[[4-[[4-[[4-[[(2R)-2-[[2-[2-[2-[[4-[[4-[[4-[[4-[[(2R)-2-amino-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]propyl-methylamino]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: 73387808
• Molecular Formula: C141H169N42O27S2+
• Molecular Weight: 2948.30 g/mol
• Exact Mass: 2946.26
• IUPAC Name: 5-[[6-[3-[3-[3-[[4-[[4-[[4-[[4-[[(2R)-2-[[2-[2-[2-[[4-[[4-[[4-[[4-[[(2R)-2-amino-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]propyl-methylamino]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)[C@H](N)CCCC(=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/C141H168N42O27S2/c1-167(46-25-39-143-114(186)35-17-16-18-41-149-211(203,204)91-36-37-92(109(67-91)212(205,206)207)117-95-57-81-27-21-48-182-50-23-29-93(118(81)182)120(95)210-121-94-30-24-51-183-49-22-28-82(119(94)183)58-96(117)121)47-26-40-144-115(187)38-42-147-136(197)124-159-110(76-178(124)12)163-134(195)105-65-89(74-176(105)10)154-133(194)104-64-88(73-175(104)9)153-131(192)102-62-86(71-173(102)7)151-129(190)98(32-20-34-108(185)100-60-84(69-171(100)5)157-141(202)127-162-113(79-181(127)15)166-139(200)123-146-44-53-169(123)3)158-116(188)80-209-56-55-208-54-45-148-137(198)125-160-111(77-179(125)13)164-135(196)106-66-90(75-177(106)11)155-132(193)103-63-87(72-174(103)8)152-130(191)101-61-85(70-172(101)6)150-128(189)97(142)31-19-33-107(184)99-59-83(68-170(99)4)156-140(201)126-161-112(78-180(126)14)165-138(199)122-145-43-52-168(122)2/h36-37,43-44,52-53,57-79,97-98,149H,16-35,38-42,45-51,54-56,80,142H2,1-15H3,(H17-,143,144,147,148,150,151,152,153,154,155,156,157,158,163,164,165,166,186,187,188,189,190,191,192,193,194,195,196,197,198,199,200,201,202,205,206,207)/p+1/t97-,98-/m1/s1
• InChIKey: KIKHUKDZTIUEKY-FAWJXWHWSA-O
• XLogP: 6.86
• TPSA: 838.94 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 49
• Rotatable Bonds: 66
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2948.30
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	49

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-[3-[3-[[4-[[4-[[4-[[4-[[(2R)-2-[[2-[2-[2-[[4-[[4-[[4-[[4-[[(2R)-2-amino-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]propyl-methylamino]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-[3-[3-[[4-[[4-[[4-[[4-[[(2R)-2-[[2-[2-[2-[[4-[[4-[[4-[[4-[[(2R)-2-amino-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]propyl-methylamino]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 73387808) is 5-[[6-[3-[3-[3-[[4-[[4-[[4-[[4-[[(2R)-2-[[2-[2-[2-[[4-[[4-[[4-[[4-[[(2R)-2-amino-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]propyl-methylamino]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-[3-[3-[[4-[[4-[[4-[[4-[[(2R)-2-[[2-[2-[2-[[4-[[4-[[4-[[4-[[(2R)-2-amino-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]propyl-methylamino]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-[3-[3-[[4-[[4-[[4-[[4-[[(2R)-2-[[2-[2-[2-[[4-[[4-[[4-[[4-[[(2R)-2-amino-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]propyl-methylamino]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)[C@H](N)CCCC(=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-[3-[3-[[4-[[4-[[4-[[4-[[(2R)-2-[[2-[2-[2-[[4-[[4-[[4-[[4-[[(2R)-2-amino-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]propyl-methylamino]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 KIKHUKDZTIUEKY-FAWJXWHWSA-O. The full InChI is InChI=1S/C141H168N42O27S2/c1-167(46-25-39-143-114(186)35-17-16-18-41-149-211(203,204)91-36-37-92(109(67-91)212(205,206)207)117-95-57-81-27-21-48-182-50-23-29-93(118(81)182)120(95)210-121-94-30-24-51-183-49-22-28-82(119(94)183)58-96(117)121)47-26-40-144-115(187)38-42-147-136(197)124-159-110(76-178(124)12)163-134(195)105-65-89(74-176(105)10)154-133(194)104-64-88(73-175(104)9)153-131(192)102-62-86(71-173(102)7)151-129(190)98(32-20-34-108(185)100-60-84(69-171(100)5)157-141(202)127-162-113(79-181(127)15)166-139(200)123-146-44-53-169(123)3)158-116(188)80-209-56-55-208-54-45-148-137(198)125-160-111(77-179(125)13)164-135(196)106-66-90(75-177(106)11)155-132(193)103-63-87(72-174(103)8)152-130(191)101-61-85(70-172(101)6)150-128(189)97(142)31-19-33-107(184)99-59-83(68-170(99)4)156-140(201)126-161-112(78-180(126)14)165-138(199)122-145-43-52-168(122)2/h36-37,43-44,52-53,57-79,97-98,149H,16-35,38-42,45-51,54-56,80,142H2,1-15H3,(H17-,143,144,147,148,150,151,152,153,154,155,156,157,158,163,164,165,166,186,187,188,189,190,191,192,193,194,195,196,197,198,199,200,201,202,205,206,207)/p+1/t97-,98-/m1/s1.

What are the key properties of 5-[[6-[3-[3-[3-[[4-[[4-[[4-[[4-[[(2R)-2-[[2-[2-[2-[[4-[[4-[[4-[[4-[[(2R)-2-amino-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]propyl-methylamino]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-[3-[3-[[4-[[4-[[4-[[4-[[(2R)-2-[[2-[2-[2-[[4-[[4-[[4-[[4-[[(2R)-2-amino-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]propyl-methylamino]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 2948.30 g/mol, XLogP of 6.86, 66 rotatable bonds, 20 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[6-[3-[3-[3-[[4-[[4-[[4-[[4-[[(2R)-2-[[2-[2-[2-[[4-[[4-[[4-[[4-[[(2R)-2-amino-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-6-[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrol-2-yl]-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]propyl-methylamino]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 73387808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).