tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate;tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-oxo-4-prop-2-enoxybutanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate

C171H204N26O31S2 — CID 157059009

About tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate;tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-oxo-4-prop-2-enoxybutanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate

tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate;tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-oxo-4-prop-2-enoxybutanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate (PubChem CID 157059009) has the molecular formula C171H204N26O31S2 and a molecular weight of 3183.80 g/mol. Its IUPAC name is tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate;tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-oxo-4-prop-2-enoxybutanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate;tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-oxo-4-prop-2-enoxybutanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate
• PubChem CID: 157059009
• Molecular Formula: C171H204N26O31S2
• Molecular Weight: 3183.80 g/mol
• Exact Mass: 3181.46
• IUPAC Name: tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate;tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-oxo-4-prop-2-enoxybutanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate
• SMILES: [H]/N=C(/NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)[C@@H](N)CC(=O)OCC=C)C(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)OCC=C)C(=O)OC)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2.[H]/N=C(\NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)N1C(=O)C[C@H](N)C1=O)C(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)OCC=C)C(=O)OC)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2
• InChI: InChI=1S/C87H105N13O16S.C84H99N13O15S/c1-12-45-113-73(101)50-66(88)76(102)95-71(49-63-53-99(54-92-63)87(60-33-20-15-21-34-60,61-35-22-16-23-36-61)62-37-24-17-25-38-62)80(106)96-69(47-58-31-18-14-19-32-58)78(104)93-67(41-30-44-90-82(89)98-117(110,111)75-56(4)55(3)74-65(57(75)5)51-86(9,10)115-74)77(103)97-70(48-59-52-100(84(109)116-85(6,7)8)72-42-27-26-39-64(59)72)79(105)94-68(81(107)112-11)40-28-29-43-91-83(108)114-46-13-2;1-11-43-110-80(105)88-41-27-26-38-65(78(104)109-10)91-75(101)67(45-56-49-96(81(106)112-82(5,6)7)68-40-25-24-37-61(56)68)92-73(99)64(39-28-42-87-79(86)94-113(107,108)72-53(3)52(2)71-62(54(72)4)48-83(8,9)111-71)90-74(100)66(44-55-29-16-12-17-30-55)93-76(102)69(97-70(98)47-63(85)77(97)103)46-60-50-95(51-89-60)84(57-31-18-13-19-32-57,58-33-20-14-21-34-58)59-35-22-15-23-36-59/h12-27,31-39,42,52-54,66-71H,1-2,28-30,40-41,43-51,88H2,3-11H3,(H,91,108)(H,93,104)(H,94,105)(H,95,102)(H,96,106)(H,97,103)(H3,89,90,98);11-25,29-37,40,49-51,63-67,69H,1,26-28,38-39,41-48,85H2,2-10H3,(H,88,105)(H,90,100)(H,91,101)(H,92,99)(H,93,102)(H3,86,87,94)/t66-,67-,68-,69+,70-,71-;63-,64-,65-,66+,67-,69-/m00/s1
• InChIKey: ABCGXPCNWBKJLU-YAMRUPJSSA-N
• XLogP: 16.60
• TPSA: 787.54 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 41
• Rotatable Bonds: 71
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3183.80
LogP ≤ 5	16.60
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate;tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-oxo-4-prop-2-enoxybutanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate?

The IUPAC name of tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate;tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-oxo-4-prop-2-enoxybutanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate (CID 157059009) is tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate;tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-oxo-4-prop-2-enoxybutanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate.

What is the SMILES notation for tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate;tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-oxo-4-prop-2-enoxybutanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate?

The canonical SMILES for tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate;tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-oxo-4-prop-2-enoxybutanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate is [H]/N=C(/NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)[C@@H](N)CC(=O)OCC=C)C(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)OCC=C)C(=O)OC)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2.[H]/N=C(\NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)N1C(=O)C[C@H](N)C1=O)C(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)OCC=C)C(=O)OC)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2.

What is the InChIKey of tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate;tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-oxo-4-prop-2-enoxybutanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate?

The InChIKey is ABCGXPCNWBKJLU-YAMRUPJSSA-N. The full InChI is InChI=1S/C87H105N13O16S.C84H99N13O15S/c1-12-45-113-73(101)50-66(88)76(102)95-71(49-63-53-99(54-92-63)87(60-33-20-15-21-34-60,61-35-22-16-23-36-61)62-37-24-17-25-38-62)80(106)96-69(47-58-31-18-14-19-32-58)78(104)93-67(41-30-44-90-82(89)98-117(110,111)75-56(4)55(3)74-65(57(75)5)51-86(9,10)115-74)77(103)97-70(48-59-52-100(84(109)116-85(6,7)8)72-42-27-26-39-64(59)72)79(105)94-68(81(107)112-11)40-28-29-43-91-83(108)114-46-13-2;1-11-43-110-80(105)88-41-27-26-38-65(78(104)109-10)91-75(101)67(45-56-49-96(81(106)112-82(5,6)7)68-40-25-24-37-61(56)68)92-73(99)64(39-28-42-87-79(86)94-113(107,108)72-53(3)52(2)71-62(54(72)4)48-83(8,9)111-71)90-74(100)66(44-55-29-16-12-17-30-55)93-76(102)69(97-70(98)47-63(85)77(97)103)46-60-50-95(51-89-60)84(57-31-18-13-19-32-57,58-33-20-14-21-34-58)59-35-22-15-23-36-59/h12-27,31-39,42,52-54,66-71H,1-2,28-30,40-41,43-51,88H2,3-11H3,(H,91,108)(H,93,104)(H,94,105)(H,95,102)(H,96,106)(H,97,103)(H3,89,90,98);11-25,29-37,40,49-51,63-67,69H,1,26-28,38-39,41-48,85H2,2-10H3,(H,88,105)(H,90,100)(H,91,101)(H,92,99)(H,93,102)(H3,86,87,94)/t66-,67-,68-,69+,70-,71-;63-,64-,65-,66+,67-,69-/m00/s1.

What are the key properties of tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate;tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-oxo-4-prop-2-enoxybutanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate?

tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate;tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-oxo-4-prop-2-enoxybutanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate has a molecular weight of 3183.80 g/mol, XLogP of 16.60, 71 rotatable bonds, 19 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate;tert-butyl 3-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-oxo-4-prop-2-enoxybutanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoyl]amino]-3-[[(2S)-1-methoxy-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate is sourced from PubChem (CID 157059009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).