2-[[2-[[2-[[2-[[1-[2-[[9-amino-6-(4-aminobutyl)-28-hydroxy-3,17,20-tris(hydroxymethyl)-2,5,8,16,19,22,25-heptaoxo-11,12-dithia-1,4,7,15,18,21,24-heptazabicyclo[24.3.0]nonacosane-14-carbonyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[19-(4-aminobutyl)-25-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-4-(2-amino-2-oxoethyl)-22,33-bis(3-carbamimidamidopropyl)-8-hydroxy-16-(1-hydroxyethyl)-36-(hydroxymethyl)-13-[(4-hydroxyphenyl)methyl]-2,5,11,14,17,20,23,31,34,37,44-undecaoxo-27,28,40,41-tetrathia-3,6,12,15,18,21,24,32,35,38,45-undecazatricyclo[28.8.7.06,10]pentatetracontan-43-yl]butanediamide

C120H182N38O43S6 — CID 177414140

About 2-[[2-[[2-[[2-[[1-[2-[[9-amino-6-(4-aminobutyl)-28-hydroxy-3,17,20-tris(hydroxymethyl)-2,5,8,16,19,22,25-heptaoxo-11,12-dithia-1,4,7,15,18,21,24-heptazabicyclo[24.3.0]nonacosane-14-carbonyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[19-(4-aminobutyl)-25-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-4-(2-amino-2-oxoethyl)-22,33-bis(3-carbamimidamidopropyl)-8-hydroxy-16-(1-hydroxyethyl)-36-(hydroxymethyl)-13-[(4-hydroxyphenyl)methyl]-2,5,11,14,17,20,23,31,34,37,44-undecaoxo-27,28,40,41-tetrathia-3,6,12,15,18,21,24,32,35,38,45-undecazatricyclo[28.8.7.06,10]pentatetracontan-43-yl]butanediamide

2-[[2-[[2-[[2-[[1-[2-[[9-amino-6-(4-aminobutyl)-28-hydroxy-3,17,20-tris(hydroxymethyl)-2,5,8,16,19,22,25-heptaoxo-11,12-dithia-1,4,7,15,18,21,24-heptazabicyclo[24.3.0]nonacosane-14-carbonyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[19-(4-aminobutyl)-25-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-4-(2-amino-2-oxoethyl)-22,33-bis(3-carbamimidamidopropyl)-8-hydroxy-16-(1-hydroxyethyl)-36-(hydroxymethyl)-13-[(4-hydroxyphenyl)methyl]-2,5,11,14,17,20,23,31,34,37,44-undecaoxo-27,28,40,41-tetrathia-3,6,12,15,18,21,24,32,35,38,45-undecazatricyclo[28.8.7.06,10]pentatetracontan-43-yl]butanediamide (PubChem CID 177414140) has the molecular formula C120H182N38O43S6 and a molecular weight of 3037.40 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-[[1-[2-[[9-amino-6-(4-aminobutyl)-28-hydroxy-3,17,20-tris(hydroxymethyl)-2,5,8,16,19,22,25-heptaoxo-11,12-dithia-1,4,7,15,18,21,24-heptazabicyclo[24.3.0]nonacosane-14-carbonyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[19-(4-aminobutyl)-25-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-4-(2-amino-2-oxoethyl)-22,33-bis(3-carbamimidamidopropyl)-8-hydroxy-16-(1-hydroxyethyl)-36-(hydroxymethyl)-13-[(4-hydroxyphenyl)methyl]-2,5,11,14,17,20,23,31,34,37,44-undecaoxo-27,28,40,41-tetrathia-3,6,12,15,18,21,24,32,35,38,45-undecazatricyclo[28.8.7.06,10]pentatetracontan-43-yl]butanediamide.

Molecular Properties

• Compound Name: 2-[[2-[[2-[[2-[[1-[2-[[9-amino-6-(4-aminobutyl)-28-hydroxy-3,17,20-tris(hydroxymethyl)-2,5,8,16,19,22,25-heptaoxo-11,12-dithia-1,4,7,15,18,21,24-heptazabicyclo[24.3.0]nonacosane-14-carbonyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[19-(4-aminobutyl)-25-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-4-(2-amino-2-oxoethyl)-22,33-bis(3-carbamimidamidopropyl)-8-hydroxy-16-(1-hydroxyethyl)-36-(hydroxymethyl)-13-[(4-hydroxyphenyl)methyl]-2,5,11,14,17,20,23,31,34,37,44-undecaoxo-27,28,40,41-tetrathia-3,6,12,15,18,21,24,32,35,38,45-undecazatricyclo[28.8.7.06,10]pentatetracontan-43-yl]butanediamide
• PubChem CID: 177414140
• Molecular Formula: C120H182N38O43S6
• Molecular Weight: 3037.40 g/mol
• Exact Mass: 3035.15
• IUPAC Name: 2-[[2-[[2-[[2-[[1-[2-[[9-amino-6-(4-aminobutyl)-28-hydroxy-3,17,20-tris(hydroxymethyl)-2,5,8,16,19,22,25-heptaoxo-11,12-dithia-1,4,7,15,18,21,24-heptazabicyclo[24.3.0]nonacosane-14-carbonyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[19-(4-aminobutyl)-25-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-4-(2-amino-2-oxoethyl)-22,33-bis(3-carbamimidamidopropyl)-8-hydroxy-16-(1-hydroxyethyl)-36-(hydroxymethyl)-13-[(4-hydroxyphenyl)methyl]-2,5,11,14,17,20,23,31,34,37,44-undecaoxo-27,28,40,41-tetrathia-3,6,12,15,18,21,24,32,35,38,45-undecazatricyclo[28.8.7.06,10]pentatetracontan-43-yl]butanediamide
• SMILES: [H]/N=C(\N)NCCCC1NC(=O)C2CSSCC(C(=O)NC(Cc3ccc(O)cc3)C(N)=O)NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCCN)NC(=O)C(C(C)O)NC(=O)C(Cc3ccc(O)cc3)NC(=O)C3CC(O)CN3C(=O)C(CC(N)=O)NC(=O)C(CSSCC(NC(=O)C(CC(N)=O)NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CO)NC(=O)C(NC(=O)C3CC(O)CN3C(=O)C(CO)NC(=O)C3CSSCC(N)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)N4CC(O)CC4C(=O)NCC(=O)NC(CO)C(=O)NC(CO)C(=O)N3)C(C)O)C(=O)N2)NC(=O)C(CO)NC1=O
• InChI: InChI=1S/C120H182N38O43S6/c1-53(165)91-114(197)138-66(10-4-6-26-122)95(178)136-68(12-8-28-132-120(129)130)98(181)149-81(107(190)139-69(93(126)176)29-55-13-19-58(167)20-14-55)50-205-204-49-80-106(189)137-67(11-7-27-131-119(127)128)96(179)144-75(42-160)104(187)151-82(108(191)143-73(36-89(125)174)116(199)157-39-62(171)33-86(157)112(195)142-71(101(184)154-91)31-57-17-23-60(169)24-18-57)51-206-207-52-84(110(193)153-80)150-100(183)72(35-88(124)173)141-99(182)70(30-56-15-21-59(168)22-16-56)140-103(186)77(44-162)146-115(198)92(54(2)166)155-113(196)87-34-63(172)40-158(87)118(201)79(46-164)148-109(192)83-48-203-202-47-64(123)94(177)135-65(9-3-5-25-121)97(180)147-78(45-163)117(200)156-38-61(170)32-85(156)111(194)133-37-90(175)134-74(41-159)102(185)145-76(43-161)105(188)152-83/h13-24,53-54,61-87,91-92,159-172H,3-12,25-52,121-123H2,1-2H3,(H2,124,173)(H2,125,174)(H2,126,176)(H,133,194)(H,134,175)(H,135,177)(H,136,178)(H,137,189)(H,138,197)(H,139,190)(H,140,186)(H,141,182)(H,142,195)(H,143,191)(H,144,179)(H,145,185)(H,146,198)(H,147,180)(H,148,192)(H,149,181)(H,150,183)(H,151,187)(H,152,188)(H,153,193)(H,154,184)(H,155,196)(H4,127,128,131)(H4,129,130,132)
• InChIKey: XAKGEMITPNLZBG-UHFFFAOYSA-N
• XLogP: -23.25
• TPSA: 1344.58 Ų
• H-Bond Donors: 49
• H-Bond Acceptors: 54
• Rotatable Bonds: 50
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3037.40
LogP ≤ 5	-23.25
H-Bond Donors ≤ 5	49
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', '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 2-[[2-[[2-[[2-[[1-[2-[[9-amino-6-(4-aminobutyl)-28-hydroxy-3,17,20-tris(hydroxymethyl)-2,5,8,16,19,22,25-heptaoxo-11,12-dithia-1,4,7,15,18,21,24-heptazabicyclo[24.3.0]nonacosane-14-carbonyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[19-(4-aminobutyl)-25-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-4-(2-amino-2-oxoethyl)-22,33-bis(3-carbamimidamidopropyl)-8-hydroxy-16-(1-hydroxyethyl)-36-(hydroxymethyl)-13-[(4-hydroxyphenyl)methyl]-2,5,11,14,17,20,23,31,34,37,44-undecaoxo-27,28,40,41-tetrathia-3,6,12,15,18,21,24,32,35,38,45-undecazatricyclo[28.8.7.06,10]pentatetracontan-43-yl]butanediamide?

The IUPAC name of 2-[[2-[[2-[[2-[[1-[2-[[9-amino-6-(4-aminobutyl)-28-hydroxy-3,17,20-tris(hydroxymethyl)-2,5,8,16,19,22,25-heptaoxo-11,12-dithia-1,4,7,15,18,21,24-heptazabicyclo[24.3.0]nonacosane-14-carbonyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[19-(4-aminobutyl)-25-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-4-(2-amino-2-oxoethyl)-22,33-bis(3-carbamimidamidopropyl)-8-hydroxy-16-(1-hydroxyethyl)-36-(hydroxymethyl)-13-[(4-hydroxyphenyl)methyl]-2,5,11,14,17,20,23,31,34,37,44-undecaoxo-27,28,40,41-tetrathia-3,6,12,15,18,21,24,32,35,38,45-undecazatricyclo[28.8.7.06,10]pentatetracontan-43-yl]butanediamide (CID 177414140) is 2-[[2-[[2-[[2-[[1-[2-[[9-amino-6-(4-aminobutyl)-28-hydroxy-3,17,20-tris(hydroxymethyl)-2,5,8,16,19,22,25-heptaoxo-11,12-dithia-1,4,7,15,18,21,24-heptazabicyclo[24.3.0]nonacosane-14-carbonyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[19-(4-aminobutyl)-25-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-4-(2-amino-2-oxoethyl)-22,33-bis(3-carbamimidamidopropyl)-8-hydroxy-16-(1-hydroxyethyl)-36-(hydroxymethyl)-13-[(4-hydroxyphenyl)methyl]-2,5,11,14,17,20,23,31,34,37,44-undecaoxo-27,28,40,41-tetrathia-3,6,12,15,18,21,24,32,35,38,45-undecazatricyclo[28.8.7.06,10]pentatetracontan-43-yl]butanediamide.

What is the SMILES notation for 2-[[2-[[2-[[2-[[1-[2-[[9-amino-6-(4-aminobutyl)-28-hydroxy-3,17,20-tris(hydroxymethyl)-2,5,8,16,19,22,25-heptaoxo-11,12-dithia-1,4,7,15,18,21,24-heptazabicyclo[24.3.0]nonacosane-14-carbonyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[19-(4-aminobutyl)-25-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-4-(2-amino-2-oxoethyl)-22,33-bis(3-carbamimidamidopropyl)-8-hydroxy-16-(1-hydroxyethyl)-36-(hydroxymethyl)-13-[(4-hydroxyphenyl)methyl]-2,5,11,14,17,20,23,31,34,37,44-undecaoxo-27,28,40,41-tetrathia-3,6,12,15,18,21,24,32,35,38,45-undecazatricyclo[28.8.7.06,10]pentatetracontan-43-yl]butanediamide?

The canonical SMILES for 2-[[2-[[2-[[2-[[1-[2-[[9-amino-6-(4-aminobutyl)-28-hydroxy-3,17,20-tris(hydroxymethyl)-2,5,8,16,19,22,25-heptaoxo-11,12-dithia-1,4,7,15,18,21,24-heptazabicyclo[24.3.0]nonacosane-14-carbonyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[19-(4-aminobutyl)-25-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-4-(2-amino-2-oxoethyl)-22,33-bis(3-carbamimidamidopropyl)-8-hydroxy-16-(1-hydroxyethyl)-36-(hydroxymethyl)-13-[(4-hydroxyphenyl)methyl]-2,5,11,14,17,20,23,31,34,37,44-undecaoxo-27,28,40,41-tetrathia-3,6,12,15,18,21,24,32,35,38,45-undecazatricyclo[28.8.7.06,10]pentatetracontan-43-yl]butanediamide is [H]/N=C(\N)NCCCC1NC(=O)C2CSSCC(C(=O)NC(Cc3ccc(O)cc3)C(N)=O)NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCCN)NC(=O)C(C(C)O)NC(=O)C(Cc3ccc(O)cc3)NC(=O)C3CC(O)CN3C(=O)C(CC(N)=O)NC(=O)C(CSSCC(NC(=O)C(CC(N)=O)NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CO)NC(=O)C(NC(=O)C3CC(O)CN3C(=O)C(CO)NC(=O)C3CSSCC(N)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)N4CC(O)CC4C(=O)NCC(=O)NC(CO)C(=O)NC(CO)C(=O)N3)C(C)O)C(=O)N2)NC(=O)C(CO)NC1=O.

What is the InChIKey of 2-[[2-[[2-[[2-[[1-[2-[[9-amino-6-(4-aminobutyl)-28-hydroxy-3,17,20-tris(hydroxymethyl)-2,5,8,16,19,22,25-heptaoxo-11,12-dithia-1,4,7,15,18,21,24-heptazabicyclo[24.3.0]nonacosane-14-carbonyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[19-(4-aminobutyl)-25-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-4-(2-amino-2-oxoethyl)-22,33-bis(3-carbamimidamidopropyl)-8-hydroxy-16-(1-hydroxyethyl)-36-(hydroxymethyl)-13-[(4-hydroxyphenyl)methyl]-2,5,11,14,17,20,23,31,34,37,44-undecaoxo-27,28,40,41-tetrathia-3,6,12,15,18,21,24,32,35,38,45-undecazatricyclo[28.8.7.06,10]pentatetracontan-43-yl]butanediamide?

The InChIKey is XAKGEMITPNLZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H182N38O43S6/c1-53(165)91-114(197)138-66(10-4-6-26-122)95(178)136-68(12-8-28-132-120(129)130)98(181)149-81(107(190)139-69(93(126)176)29-55-13-19-58(167)20-14-55)50-205-204-49-80-106(189)137-67(11-7-27-131-119(127)128)96(179)144-75(42-160)104(187)151-82(108(191)143-73(36-89(125)174)116(199)157-39-62(171)33-86(157)112(195)142-71(101(184)154-91)31-57-17-23-60(169)24-18-57)51-206-207-52-84(110(193)153-80)150-100(183)72(35-88(124)173)141-99(182)70(30-56-15-21-59(168)22-16-56)140-103(186)77(44-162)146-115(198)92(54(2)166)155-113(196)87-34-63(172)40-158(87)118(201)79(46-164)148-109(192)83-48-203-202-47-64(123)94(177)135-65(9-3-5-25-121)97(180)147-78(45-163)117(200)156-38-61(170)32-85(156)111(194)133-37-90(175)134-74(41-159)102(185)145-76(43-161)105(188)152-83/h13-24,53-54,61-87,91-92,159-172H,3-12,25-52,121-123H2,1-2H3,(H2,124,173)(H2,125,174)(H2,126,176)(H,133,194)(H,134,175)(H,135,177)(H,136,178)(H,137,189)(H,138,197)(H,139,190)(H,140,186)(H,141,182)(H,142,195)(H,143,191)(H,144,179)(H,145,185)(H,146,198)(H,147,180)(H,148,192)(H,149,181)(H,150,183)(H,151,187)(H,152,188)(H,153,193)(H,154,184)(H,155,196)(H4,127,128,131)(H4,129,130,132).

What are the key properties of 2-[[2-[[2-[[2-[[1-[2-[[9-amino-6-(4-aminobutyl)-28-hydroxy-3,17,20-tris(hydroxymethyl)-2,5,8,16,19,22,25-heptaoxo-11,12-dithia-1,4,7,15,18,21,24-heptazabicyclo[24.3.0]nonacosane-14-carbonyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[19-(4-aminobutyl)-25-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-4-(2-amino-2-oxoethyl)-22,33-bis(3-carbamimidamidopropyl)-8-hydroxy-16-(1-hydroxyethyl)-36-(hydroxymethyl)-13-[(4-hydroxyphenyl)methyl]-2,5,11,14,17,20,23,31,34,37,44-undecaoxo-27,28,40,41-tetrathia-3,6,12,15,18,21,24,32,35,38,45-undecazatricyclo[28.8.7.06,10]pentatetracontan-43-yl]butanediamide?

2-[[2-[[2-[[2-[[1-[2-[[9-amino-6-(4-aminobutyl)-28-hydroxy-3,17,20-tris(hydroxymethyl)-2,5,8,16,19,22,25-heptaoxo-11,12-dithia-1,4,7,15,18,21,24-heptazabicyclo[24.3.0]nonacosane-14-carbonyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[19-(4-aminobutyl)-25-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-4-(2-amino-2-oxoethyl)-22,33-bis(3-carbamimidamidopropyl)-8-hydroxy-16-(1-hydroxyethyl)-36-(hydroxymethyl)-13-[(4-hydroxyphenyl)methyl]-2,5,11,14,17,20,23,31,34,37,44-undecaoxo-27,28,40,41-tetrathia-3,6,12,15,18,21,24,32,35,38,45-undecazatricyclo[28.8.7.06,10]pentatetracontan-43-yl]butanediamide has a molecular weight of 3037.40 g/mol, XLogP of -23.25, 50 rotatable bonds, 49 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[2-[[2-[[1-[2-[[9-amino-6-(4-aminobutyl)-28-hydroxy-3,17,20-tris(hydroxymethyl)-2,5,8,16,19,22,25-heptaoxo-11,12-dithia-1,4,7,15,18,21,24-heptazabicyclo[24.3.0]nonacosane-14-carbonyl]amino]-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[19-(4-aminobutyl)-25-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-4-(2-amino-2-oxoethyl)-22,33-bis(3-carbamimidamidopropyl)-8-hydroxy-16-(1-hydroxyethyl)-36-(hydroxymethyl)-13-[(4-hydroxyphenyl)methyl]-2,5,11,14,17,20,23,31,34,37,44-undecaoxo-27,28,40,41-tetrathia-3,6,12,15,18,21,24,32,35,38,45-undecazatricyclo[28.8.7.06,10]pentatetracontan-43-yl]butanediamide is sourced from PubChem (CID 177414140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).