tert-butyl N-[4-[5-[[7-[3-[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]-5-(2-prop-2-ynoxyethylcarbamoyl)phenyl]-6-oxoheptyl]amino]-5-oxopentyl]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-(2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

C203H313N39O50S6 — CID 167708990

About tert-butyl N-[4-[5-[[7-[3-[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]-5-(2-prop-2-ynoxyethylcarbamoyl)phenyl]-6-oxoheptyl]amino]-5-oxopentyl]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-(2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

tert-butyl N-[4-[5-[[7-[3-[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]-5-(2-prop-2-ynoxyethylcarbamoyl)phenyl]-6-oxoheptyl]amino]-5-oxopentyl]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-(2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 167708990) has the molecular formula C203H313N39O50S6 and a molecular weight of 4292.36 g/mol. Its IUPAC name is tert-butyl N-[4-[5-[[7-[3-[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]-5-(2-prop-2-ynoxyethylcarbamoyl)phenyl]-6-oxoheptyl]amino]-5-oxopentyl]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-(2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

• Compound Name: tert-butyl N-[4-[5-[[7-[3-[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]-5-(2-prop-2-ynoxyethylcarbamoyl)phenyl]-6-oxoheptyl]amino]-5-oxopentyl]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-(2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• PubChem CID: 167708990
• Molecular Formula: C203H313N39O50S6
• Molecular Weight: 4292.36 g/mol
• Exact Mass: 4289.15
• IUPAC Name: tert-butyl N-[4-[5-[[7-[3-[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]-5-(2-prop-2-ynoxyethylcarbamoyl)phenyl]-6-oxoheptyl]amino]-5-oxopentyl]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-(2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• SMILES: C#CCOCCNC(=O)c1cc(CC(=O)CCCCCNC(=O)CCCCC2SCC3NC(NC(=O)OC(C)(C)C)=NC32)cc(CC(=O)CCCCCNC(=O)CCCCC2SCC3NC(NC(=O)OC(C)(C)C)NC32)c1.CC(C)(C)OC(=O)NC1=NC2C(CSC2CCCCC(=O)NCCCCCC(=O)Cc2cc(CC(=O)CCCCCNC(=O)CCCCC3SCC4NC(NC(=O)OC(C)(C)C)=NC43)cc(C(=O)NCCOCc3cn(CCOCCOCCOCCOCCC(=O)ON4C(=O)CCC4=O)nn3)c2)N1.NC1=NC2C(CSC2CCCCC(=O)NCCCCCC(=O)Cc2cc(CC(=O)CCCCCNC(=O)CCCCC3SCC4NC(N)=NC43)cc(C(=O)NCCOCc3cn(CCOCCOCCOCCOCCC(=O)ON4C(=O)CCC4=O)nn3)c2)N1.[N-]=[N+]=NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C71H109N13O18S2.C61H93N13O14S2.C56H87N9O10S2.C15H24N4O8/c1-70(2,3)100-68(93)79-66-75-54-46-103-56(63(54)77-66)19-11-13-21-58(87)72-26-15-7-9-17-52(85)42-48-39-49(43-53(86)18-10-8-16-27-73-59(88)22-14-12-20-57-64-55(47-104-57)76-67(78-64)80-69(94)101-71(4,5)6)41-50(40-48)65(92)74-28-31-99-45-51-44-83(82-81-51)29-32-96-34-36-98-38-37-97-35-33-95-30-25-62(91)102-84-60(89)23-24-61(84)90;62-60-67-48-40-89-50(57(48)69-60)13-5-7-15-52(77)64-20-9-1-3-11-46(75)36-42-33-43(37-47(76)12-4-2-10-21-65-53(78)16-8-6-14-51-58-49(41-90-51)68-61(63)70-58)35-44(34-42)59(82)66-22-25-87-39-45-38-73(72-71-45)23-26-84-28-30-86-32-31-85-29-27-83-24-19-56(81)88-74-54(79)17-18-55(74)80;1-8-28-73-29-27-59-50(70)39-31-37(33-40(66)19-11-9-17-25-57-46(68)23-15-13-21-44-48-42(35-76-44)60-51(62-48)64-53(71)74-55(2,3)4)30-38(32-39)34-41(67)20-12-10-18-26-58-47(69)24-16-14-22-45-49-43(36-77-45)61-52(63-49)65-54(72)75-56(5,6)7;16-18-17-4-6-24-8-10-26-12-11-25-9-7-23-5-3-15(22)27-19-13(20)1-2-14(19)21/h39-41,44,54-57,63-64H,7-38,42-43,45-47H2,1-6H3,(H,72,87)(H,73,88)(H,74,92)(H2,75,77,79,93)(H2,76,78,80,94);33-35,38,48-51,57-58H,1-32,36-37,39-41H2,(H,64,77)(H,65,78)(H,66,82)(H3,62,67,69)(H3,63,68,70);1,30-32,42-45,48-49,51,60,62H,9-29,33-36H2,2-7H3,(H,57,68)(H,58,69)(H,59,70)(H,64,71)(H2,61,63,65,72);1-12H2
• InChIKey: ZNQWXDQWDIDLOK-UHFFFAOYSA-N
• XLogP: 14.50
• TPSA: 1155.36 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 77
• Rotatable Bonds: 144
• Heavy Atoms: 298
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4292.36
LogP ≤ 5	14.50
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	77

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[5-[[7-[3-[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]-5-(2-prop-2-ynoxyethylcarbamoyl)phenyl]-6-oxoheptyl]amino]-5-oxopentyl]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-(2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?

The IUPAC name of tert-butyl N-[4-[5-[[7-[3-[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]-5-(2-prop-2-ynoxyethylcarbamoyl)phenyl]-6-oxoheptyl]amino]-5-oxopentyl]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-(2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (CID 167708990) is tert-butyl N-[4-[5-[[7-[3-[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]-5-(2-prop-2-ynoxyethylcarbamoyl)phenyl]-6-oxoheptyl]amino]-5-oxopentyl]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-(2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.

What is the SMILES notation for tert-butyl N-[4-[5-[[7-[3-[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]-5-(2-prop-2-ynoxyethylcarbamoyl)phenyl]-6-oxoheptyl]amino]-5-oxopentyl]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-(2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?

The canonical SMILES for tert-butyl N-[4-[5-[[7-[3-[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]-5-(2-prop-2-ynoxyethylcarbamoyl)phenyl]-6-oxoheptyl]amino]-5-oxopentyl]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-(2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is C#CCOCCNC(=O)c1cc(CC(=O)CCCCCNC(=O)CCCCC2SCC3NC(NC(=O)OC(C)(C)C)=NC32)cc(CC(=O)CCCCCNC(=O)CCCCC2SCC3NC(NC(=O)OC(C)(C)C)NC32)c1.CC(C)(C)OC(=O)NC1=NC2C(CSC2CCCCC(=O)NCCCCCC(=O)Cc2cc(CC(=O)CCCCCNC(=O)CCCCC3SCC4NC(NC(=O)OC(C)(C)C)=NC43)cc(C(=O)NCCOCc3cn(CCOCCOCCOCCOCCC(=O)ON4C(=O)CCC4=O)nn3)c2)N1.NC1=NC2C(CSC2CCCCC(=O)NCCCCCC(=O)Cc2cc(CC(=O)CCCCCNC(=O)CCCCC3SCC4NC(N)=NC43)cc(C(=O)NCCOCc3cn(CCOCCOCCOCCOCCC(=O)ON4C(=O)CCC4=O)nn3)c2)N1.[N-]=[N+]=NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of tert-butyl N-[4-[5-[[7-[3-[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]-5-(2-prop-2-ynoxyethylcarbamoyl)phenyl]-6-oxoheptyl]amino]-5-oxopentyl]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-(2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?

The InChIKey is ZNQWXDQWDIDLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H109N13O18S2.C61H93N13O14S2.C56H87N9O10S2.C15H24N4O8/c1-70(2,3)100-68(93)79-66-75-54-46-103-56(63(54)77-66)19-11-13-21-58(87)72-26-15-7-9-17-52(85)42-48-39-49(43-53(86)18-10-8-16-27-73-59(88)22-14-12-20-57-64-55(47-104-57)76-67(78-64)80-69(94)101-71(4,5)6)41-50(40-48)65(92)74-28-31-99-45-51-44-83(82-81-51)29-32-96-34-36-98-38-37-97-35-33-95-30-25-62(91)102-84-60(89)23-24-61(84)90;62-60-67-48-40-89-50(57(48)69-60)13-5-7-15-52(77)64-20-9-1-3-11-46(75)36-42-33-43(37-47(76)12-4-2-10-21-65-53(78)16-8-6-14-51-58-49(41-90-51)68-61(63)70-58)35-44(34-42)59(82)66-22-25-87-39-45-38-73(72-71-45)23-26-84-28-30-86-32-31-85-29-27-83-24-19-56(81)88-74-54(79)17-18-55(74)80;1-8-28-73-29-27-59-50(70)39-31-37(33-40(66)19-11-9-17-25-57-46(68)23-15-13-21-44-48-42(35-76-44)60-51(62-48)64-53(71)74-55(2,3)4)30-38(32-39)34-41(67)20-12-10-18-26-58-47(69)24-16-14-22-45-49-43(36-77-45)61-52(63-49)65-54(72)75-56(5,6)7;16-18-17-4-6-24-8-10-26-12-11-25-9-7-23-5-3-15(22)27-19-13(20)1-2-14(19)21/h39-41,44,54-57,63-64H,7-38,42-43,45-47H2,1-6H3,(H,72,87)(H,73,88)(H,74,92)(H2,75,77,79,93)(H2,76,78,80,94);33-35,38,48-51,57-58H,1-32,36-37,39-41H2,(H,64,77)(H,65,78)(H,66,82)(H3,62,67,69)(H3,63,68,70);1,30-32,42-45,48-49,51,60,62H,9-29,33-36H2,2-7H3,(H,57,68)(H,58,69)(H,59,70)(H,64,71)(H2,61,63,65,72);1-12H2.

What are the key properties of tert-butyl N-[4-[5-[[7-[3-[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]-5-(2-prop-2-ynoxyethylcarbamoyl)phenyl]-6-oxoheptyl]amino]-5-oxopentyl]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-(2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?

tert-butyl N-[4-[5-[[7-[3-[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]-5-(2-prop-2-ynoxyethylcarbamoyl)phenyl]-6-oxoheptyl]amino]-5-oxopentyl]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-(2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 4292.36 g/mol, XLogP of 14.50, 144 rotatable bonds, 22 hydrogen bond donors, and 77 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[5-[[7-[3-[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]-5-(2-prop-2-ynoxyethylcarbamoyl)phenyl]-6-oxoheptyl]amino]-5-oxopentyl]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl]carbamate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-(2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-[2-[[3,5-bis[7-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-oxoheptyl]benzoyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 167708990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).