(2S)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(3S,6S,9S,12S,20S)-12-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[2-[2-[3-[(2S,5R,8S,11S,14R,17S,20R)-5-benzyl-11,14,17,20-tetrakis(3-carbamimidamidopropyl)-8-(naphthalen-2-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]propanoylamino]ethoxy]ethoxy]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-6-[(4-hydroxyphenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,15-pentazacycloicosane-20-carbonyl]amino]pentanediamide

C130H186N38O29 — CID 155561757

About (2S)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(3S,6S,9S,12S,20S)-12-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[2-[2-[3-[(2S,5R,8S,11S,14R,17S,20R)-5-benzyl-11,14,17,20-tetrakis(3-carbamimidamidopropyl)-8-(naphthalen-2-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]propanoylamino]ethoxy]ethoxy]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-6-[(4-hydroxyphenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,15-pentazacycloicosane-20-carbonyl]amino]pentanediamide

(2S)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(3S,6S,9S,12S,20S)-12-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[2-[2-[3-[(2S,5R,8S,11S,14R,17S,20R)-5-benzyl-11,14,17,20-tetrakis(3-carbamimidamidopropyl)-8-(naphthalen-2-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]propanoylamino]ethoxy]ethoxy]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-6-[(4-hydroxyphenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,15-pentazacycloicosane-20-carbonyl]amino]pentanediamide (PubChem CID 155561757) has the molecular formula C130H186N38O29 and a molecular weight of 2745.15 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(3S,6S,9S,12S,20S)-12-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[2-[2-[3-[(2S,5R,8S,11S,14R,17S,20R)-5-benzyl-11,14,17,20-tetrakis(3-carbamimidamidopropyl)-8-(naphthalen-2-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]propanoylamino]ethoxy]ethoxy]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-6-[(4-hydroxyphenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,15-pentazacycloicosane-20-carbonyl]amino]pentanediamide.

Molecular Properties

• Compound Name: (2S)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(3S,6S,9S,12S,20S)-12-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[2-[2-[3-[(2S,5R,8S,11S,14R,17S,20R)-5-benzyl-11,14,17,20-tetrakis(3-carbamimidamidopropyl)-8-(naphthalen-2-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]propanoylamino]ethoxy]ethoxy]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-6-[(4-hydroxyphenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,15-pentazacycloicosane-20-carbonyl]amino]pentanediamide
• PubChem CID: 155561757
• Molecular Formula: C130H186N38O29
• Molecular Weight: 2745.15 g/mol
• Exact Mass: 2743.42
• IUPAC Name: (2S)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(3S,6S,9S,12S,20S)-12-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[2-[2-[3-[(2S,5R,8S,11S,14R,17S,20R)-5-benzyl-11,14,17,20-tetrakis(3-carbamimidamidopropyl)-8-(naphthalen-2-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]propanoylamino]ethoxy]ethoxy]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-6-[(4-hydroxyphenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,15-pentazacycloicosane-20-carbonyl]amino]pentanediamide
• SMILES: [H]/N=C(\N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NCCOCCOCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3cnc[nH]3)NC2=O)[C@@H](C)O)NC(=O)[C@@H](CCCN/C(N)=N/[H])NC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@@H](CCCN/C(N)=N/[H])NC1=O
• InChI: InChI=1S/C130H186N38O29/c1-70(2)55-92(150-105(176)68-197-54-53-196-52-51-143-103(174)45-43-91-115(184)159-94(58-74-23-9-7-10-24-74)117(186)161-97(61-77-36-39-78-27-13-14-28-79(78)57-77)116(185)155-89(35-22-50-147-130(139)140)112(181)152-87(33-20-48-145-128(135)136)110(179)151-86(32-19-47-144-127(133)134)111(180)153-88(113(182)157-91)34-21-49-146-129(137)138)123(192)167-106(72(5)170)125(194)165-96(59-75-25-11-8-12-26-75)119(188)164-100-64-104(175)142-46-18-17-31-85(109(178)156-90(42-44-102(131)173)114(183)158-93(56-71(3)4)124(193)168-107(73(6)171)126(195)166-101(67-169)108(132)177)154-120(189)98(62-80-65-148-84-30-16-15-29-83(80)84)162-118(187)95(60-76-37-40-82(172)41-38-76)160-121(190)99(163-122(100)191)63-81-66-141-69-149-81/h7-16,23-30,36-41,57,65-66,69-73,85-101,106-107,148,169-172H,17-22,31-35,42-56,58-64,67-68H2,1-6H3,(H2,131,173)(H2,132,177)(H,141,149)(H,142,175)(H,143,174)(H,150,176)(H,151,179)(H,152,181)(H,153,180)(H,154,189)(H,155,185)(H,156,178)(H,157,182)(H,158,183)(H,159,184)(H,160,190)(H,161,186)(H,162,187)(H,163,191)(H,164,188)(H,165,194)(H,166,195)(H,167,192)(H,168,193)(H4,133,134,144)(H4,135,136,145)(H4,137,138,146)(H4,139,140,147)/t72-,73-,85+,86+,87-,88-,89+,90+,91+,92+,93+,94-,95+,96+,97+,98+,99+,100+,101+,106+,107+/m1/s1
• InChIKey: VRCXMVQRLOUJDF-UAFORRMMSA-N
• XLogP: -8.00
• TPSA: 1088.73 Ų
• H-Bond Donors: 41
• H-Bond Acceptors: 34
• Rotatable Bonds: 65
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2745.15
LogP ≤ 5	-8.00
H-Bond Donors ≤ 5	41
H-Bond Acceptors ≤ 10	34

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)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(3S,6S,9S,12S,20S)-12-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[2-[2-[3-[(2S,5R,8S,11S,14R,17S,20R)-5-benzyl-11,14,17,20-tetrakis(3-carbamimidamidopropyl)-8-(naphthalen-2-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]propanoylamino]ethoxy]ethoxy]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-6-[(4-hydroxyphenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,15-pentazacycloicosane-20-carbonyl]amino]pentanediamide?

The IUPAC name of (2S)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(3S,6S,9S,12S,20S)-12-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[2-[2-[3-[(2S,5R,8S,11S,14R,17S,20R)-5-benzyl-11,14,17,20-tetrakis(3-carbamimidamidopropyl)-8-(naphthalen-2-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]propanoylamino]ethoxy]ethoxy]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-6-[(4-hydroxyphenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,15-pentazacycloicosane-20-carbonyl]amino]pentanediamide (CID 155561757) is (2S)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(3S,6S,9S,12S,20S)-12-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[2-[2-[3-[(2S,5R,8S,11S,14R,17S,20R)-5-benzyl-11,14,17,20-tetrakis(3-carbamimidamidopropyl)-8-(naphthalen-2-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]propanoylamino]ethoxy]ethoxy]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-6-[(4-hydroxyphenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,15-pentazacycloicosane-20-carbonyl]amino]pentanediamide.

What is the SMILES notation for (2S)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(3S,6S,9S,12S,20S)-12-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[2-[2-[3-[(2S,5R,8S,11S,14R,17S,20R)-5-benzyl-11,14,17,20-tetrakis(3-carbamimidamidopropyl)-8-(naphthalen-2-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]propanoylamino]ethoxy]ethoxy]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-6-[(4-hydroxyphenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,15-pentazacycloicosane-20-carbonyl]amino]pentanediamide?

The canonical SMILES for (2S)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(3S,6S,9S,12S,20S)-12-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[2-[2-[3-[(2S,5R,8S,11S,14R,17S,20R)-5-benzyl-11,14,17,20-tetrakis(3-carbamimidamidopropyl)-8-(naphthalen-2-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]propanoylamino]ethoxy]ethoxy]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-6-[(4-hydroxyphenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,15-pentazacycloicosane-20-carbonyl]amino]pentanediamide is [H]/N=C(\N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)NCCOCCOCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3cnc[nH]3)NC2=O)[C@@H](C)O)NC(=O)[C@@H](CCCN/C(N)=N/[H])NC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@@H](CCCN/C(N)=N/[H])NC1=O.

What is the InChIKey of (2S)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(3S,6S,9S,12S,20S)-12-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[2-[2-[3-[(2S,5R,8S,11S,14R,17S,20R)-5-benzyl-11,14,17,20-tetrakis(3-carbamimidamidopropyl)-8-(naphthalen-2-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]propanoylamino]ethoxy]ethoxy]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-6-[(4-hydroxyphenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,15-pentazacycloicosane-20-carbonyl]amino]pentanediamide?

The InChIKey is VRCXMVQRLOUJDF-UAFORRMMSA-N. The full InChI is InChI=1S/C130H186N38O29/c1-70(2)55-92(150-105(176)68-197-54-53-196-52-51-143-103(174)45-43-91-115(184)159-94(58-74-23-9-7-10-24-74)117(186)161-97(61-77-36-39-78-27-13-14-28-79(78)57-77)116(185)155-89(35-22-50-147-130(139)140)112(181)152-87(33-20-48-145-128(135)136)110(179)151-86(32-19-47-144-127(133)134)111(180)153-88(113(182)157-91)34-21-49-146-129(137)138)123(192)167-106(72(5)170)125(194)165-96(59-75-25-11-8-12-26-75)119(188)164-100-64-104(175)142-46-18-17-31-85(109(178)156-90(42-44-102(131)173)114(183)158-93(56-71(3)4)124(193)168-107(73(6)171)126(195)166-101(67-169)108(132)177)154-120(189)98(62-80-65-148-84-30-16-15-29-83(80)84)162-118(187)95(60-76-37-40-82(172)41-38-76)160-121(190)99(163-122(100)191)63-81-66-141-69-149-81/h7-16,23-30,36-41,57,65-66,69-73,85-101,106-107,148,169-172H,17-22,31-35,42-56,58-64,67-68H2,1-6H3,(H2,131,173)(H2,132,177)(H,141,149)(H,142,175)(H,143,174)(H,150,176)(H,151,179)(H,152,181)(H,153,180)(H,154,189)(H,155,185)(H,156,178)(H,157,182)(H,158,183)(H,159,184)(H,160,190)(H,161,186)(H,162,187)(H,163,191)(H,164,188)(H,165,194)(H,166,195)(H,167,192)(H,168,193)(H4,133,134,144)(H4,135,136,145)(H4,137,138,146)(H4,139,140,147)/t72-,73-,85+,86+,87-,88-,89+,90+,91+,92+,93+,94-,95+,96+,97+,98+,99+,100+,101+,106+,107+/m1/s1.

What are the key properties of (2S)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(3S,6S,9S,12S,20S)-12-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[2-[2-[3-[(2S,5R,8S,11S,14R,17S,20R)-5-benzyl-11,14,17,20-tetrakis(3-carbamimidamidopropyl)-8-(naphthalen-2-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]propanoylamino]ethoxy]ethoxy]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-6-[(4-hydroxyphenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,15-pentazacycloicosane-20-carbonyl]amino]pentanediamide?

(2S)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(3S,6S,9S,12S,20S)-12-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[2-[2-[3-[(2S,5R,8S,11S,14R,17S,20R)-5-benzyl-11,14,17,20-tetrakis(3-carbamimidamidopropyl)-8-(naphthalen-2-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]propanoylamino]ethoxy]ethoxy]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-6-[(4-hydroxyphenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,15-pentazacycloicosane-20-carbonyl]amino]pentanediamide has a molecular weight of 2745.15 g/mol, XLogP of -8.00, 65 rotatable bonds, 41 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(3S,6S,9S,12S,20S)-12-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[2-[2-[3-[(2S,5R,8S,11S,14R,17S,20R)-5-benzyl-11,14,17,20-tetrakis(3-carbamimidamidopropyl)-8-(naphthalen-2-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]propanoylamino]ethoxy]ethoxy]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-6-[(4-hydroxyphenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,15-pentazacycloicosane-20-carbonyl]amino]pentanediamide is sourced from PubChem (CID 155561757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).