[(3S,4S)-1-[4-[(3S,4S)-3,4-bis[[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxy]pyrrolidine-1-carbonyl]benzoyl]-4-[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxypyrrolidin-3-yl] 4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoate

C112H176N6O22Si8 — CID 10678098

IUPAC[(3S,4S)-1-[4-[(3S,4S)-3,4-bis[[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxy]pyrrolidine-1-carbonyl]benzoyl]-4-[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxypyrrolidin-3-yl] 4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoate
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CN(C(=O)c2ccc(C(=O)O[C@H]3CN(C(=O)c4ccc(C(=O)N5C[C@H](OC(=O)c6ccc(C(=O)N7C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C7)cc6)[C@@H](OC(=O)c6ccc(C(=O)N7C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C7)cc6)C5)cc4)C[C@@H]3OC(=O)c3ccc(C(=O)N4C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C4)cc3)cc2)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C112H176N6O22Si8/c1-105(2,3)141(25,26)133-87-65-115(66-88(87)134-142(27,28)106(4,5)6)97(121)75-45-53-79(54-46-75)101(125)129-83-61-113(62-84(83)130-102(126)80-55-47-76(48-56-80)98(122)116-67-89(135-143(29,30)107(7,8)9)90(68-116)136-144(31,32)108(10,11)12)95(119)73-41-43-74(44-42-73)96(120)114-63-85(131-103(127)81-57-49-77(50-58-81)99(123)117-69-91(137-145(33,34)109(13,14)15)92(70-117)138-146(35,36)110(16,17)18)86(64-114)132-104(128)82-59-51-78(52-60-82)100(124)118-71-93(139-147(37,38)111(19,20)21)94(72-118)140-148(39,40)112(22,23)24/h41-60,83-94H,61-72H2,1-40H3/t83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-/m0/s1
InChIKeyRINNZOKPZCZQMB-KFTMPQNRSA-N
MW2183.35 g/mol
LogP22.45
Rot. Bonds30

About [(3S,4S)-1-[4-[(3S,4S)-3,4-bis[[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxy]pyrrolidine-1-carbonyl]benzoyl]-4-[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxypyrrolidin-3-yl] 4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoate

[(3S,4S)-1-[4-[(3S,4S)-3,4-bis[[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxy]pyrrolidine-1-carbonyl]benzoyl]-4-[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxypyrrolidin-3-yl] 4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoate (PubChem CID 10678098) has the molecular formula C112H176N6O22Si8 and a molecular weight of 2183.35 g/mol. Its IUPAC name is [(3S,4S)-1-[4-[(3S,4S)-3,4-bis[[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxy]pyrrolidine-1-carbonyl]benzoyl]-4-[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxypyrrolidin-3-yl] 4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoate.

Molecular Properties

Compound Name[(3S,4S)-1-[4-[(3S,4S)-3,4-bis[[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxy]pyrrolidine-1-carbonyl]benzoyl]-4-[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxypyrrolidin-3-yl] 4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoate
PubChem CID10678098
Molecular FormulaC112H176N6O22Si8
Molecular Weight2183.35 g/mol
Exact Mass2181.10
IUPAC Name[(3S,4S)-1-[4-[(3S,4S)-3,4-bis[[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxy]pyrrolidine-1-carbonyl]benzoyl]-4-[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxypyrrolidin-3-yl] 4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoate
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CN(C(=O)c2ccc(C(=O)O[C@H]3CN(C(=O)c4ccc(C(=O)N5C[C@H](OC(=O)c6ccc(C(=O)N7C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C7)cc6)[C@@H](OC(=O)c6ccc(C(=O)N7C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C7)cc6)C5)cc4)C[C@@H]3OC(=O)c3ccc(C(=O)N4C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C4)cc3)cc2)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C112H176N6O22Si8/c1-105(2,3)141(25,26)133-87-65-115(66-88(87)134-142(27,28)106(4,5)6)97(121)75-45-53-79(54-46-75)101(125)129-83-61-113(62-84(83)130-102(126)80-55-47-76(48-56-80)98(122)116-67-89(135-143(29,30)107(7,8)9)90(68-116)136-144(31,32)108(10,11)12)95(119)73-41-43-74(44-42-73)96(120)114-63-85(131-103(127)81-57-49-77(50-58-81)99(123)117-69-91(137-145(33,34)109(13,14)15)92(70-117)138-146(35,36)110(16,17)18)86(64-114)132-104(128)82-59-51-78(52-60-82)100(124)118-71-93(139-147(37,38)111(19,20)21)94(72-118)140-148(39,40)112(22,23)24/h41-60,83-94H,61-72H2,1-40H3/t83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-/m0/s1
InChIKeyRINNZOKPZCZQMB-KFTMPQNRSA-N
XLogP22.45
TPSA300.90 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds30
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002183.35
LogP ≤ 522.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(3S,4S)-1-[4-[(3S,4S)-3,4-bis[[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxy]pyrrolidine-1-carbonyl]benzoyl]-4-[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxypyrrolidin-3-yl] 4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1-[4-[(3S,4S)-3,4-bis[[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxy]pyrrolidine-1-carbonyl]benzoyl]-4-[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxypyrrolidin-3-yl] 4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoate?
The IUPAC name of [(3S,4S)-1-[4-[(3S,4S)-3,4-bis[[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxy]pyrrolidine-1-carbonyl]benzoyl]-4-[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxypyrrolidin-3-yl] 4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoate (CID 10678098) is [(3S,4S)-1-[4-[(3S,4S)-3,4-bis[[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxy]pyrrolidine-1-carbonyl]benzoyl]-4-[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxypyrrolidin-3-yl] 4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoate.
What is the SMILES notation for [(3S,4S)-1-[4-[(3S,4S)-3,4-bis[[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxy]pyrrolidine-1-carbonyl]benzoyl]-4-[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxypyrrolidin-3-yl] 4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoate?
The canonical SMILES for [(3S,4S)-1-[4-[(3S,4S)-3,4-bis[[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxy]pyrrolidine-1-carbonyl]benzoyl]-4-[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxypyrrolidin-3-yl] 4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoate is CC(C)(C)[Si](C)(C)O[C@H]1CN(C(=O)c2ccc(C(=O)O[C@H]3CN(C(=O)c4ccc(C(=O)N5C[C@H](OC(=O)c6ccc(C(=O)N7C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C7)cc6)[C@@H](OC(=O)c6ccc(C(=O)N7C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C7)cc6)C5)cc4)C[C@@H]3OC(=O)c3ccc(C(=O)N4C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C4)cc3)cc2)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3S,4S)-1-[4-[(3S,4S)-3,4-bis[[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxy]pyrrolidine-1-carbonyl]benzoyl]-4-[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxypyrrolidin-3-yl] 4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoate?
The InChIKey is RINNZOKPZCZQMB-KFTMPQNRSA-N. The full InChI is InChI=1S/C112H176N6O22Si8/c1-105(2,3)141(25,26)133-87-65-115(66-88(87)134-142(27,28)106(4,5)6)97(121)75-45-53-79(54-46-75)101(125)129-83-61-113(62-84(83)130-102(126)80-55-47-76(48-56-80)98(122)116-67-89(135-143(29,30)107(7,8)9)90(68-116)136-144(31,32)108(10,11)12)95(119)73-41-43-74(44-42-73)96(120)114-63-85(131-103(127)81-57-49-77(50-58-81)99(123)117-69-91(137-145(33,34)109(13,14)15)92(70-117)138-146(35,36)110(16,17)18)86(64-114)132-104(128)82-59-51-78(52-60-82)100(124)118-71-93(139-147(37,38)111(19,20)21)94(72-118)140-148(39,40)112(22,23)24/h41-60,83-94H,61-72H2,1-40H3/t83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-/m0/s1.
What are the key properties of [(3S,4S)-1-[4-[(3S,4S)-3,4-bis[[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxy]pyrrolidine-1-carbonyl]benzoyl]-4-[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxypyrrolidin-3-yl] 4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoate?
[(3S,4S)-1-[4-[(3S,4S)-3,4-bis[[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxy]pyrrolidine-1-carbonyl]benzoyl]-4-[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxypyrrolidin-3-yl] 4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoate has a molecular weight of 2183.35 g/mol, XLogP of 22.45, 30 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-[4-[(3S,4S)-3,4-bis[[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxy]pyrrolidine-1-carbonyl]benzoyl]-4-[4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoyl]oxypyrrolidin-3-yl] 4-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carbonyl]benzoate is sourced from PubChem (CID 10678098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).