[(3S,4S)-1-[3,5-bis[(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

C165H261N9O33Si12 — CID 100925144

IUPAC[(3S,4S)-1-[3,5-bis[(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)c4cc(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)cc(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)c4)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/C165H261N9O33Si12/c1-154(2,3)208(37,38)196-127-94-169(95-128(127)197-209(39,40)155(4,5)6)139(175)106-61-73-112(74-62-106)148(184)190-121-88-166(89-122(121)191-149(185)113-75-63-107(64-76-113)140(176)170-96-129(198-210(41,42)156(7,8)9)130(97-170)199-211(43,44)157(10,11)12)145(181)118-85-119(146(182)167-90-123(192-150(186)114-77-65-108(66-78-114)141(177)171-98-131(200-212(45,46)158(13,14)15)132(99-171)201-213(47,48)159(16,17)18)124(91-167)193-151(187)115-79-67-109(68-80-115)142(178)172-100-133(202-214(49,50)160(19,20)21)134(101-172)203-215(51,52)161(22,23)24)87-120(86-118)147(183)168-92-125(194-152(188)116-81-69-110(70-82-116)143(179)173-102-135(204-216(53,54)162(25,26)27)136(103-173)205-217(55,56)163(28,29)30)126(93-168)195-153(189)117-83-71-111(72-84-117)144(180)174-104-137(206-218(57,58)164(31,32)33)138(105-174)207-219(59,60)165(34,35)36/h61-87,121-138H,88-105H2,1-60H3/t121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-/m0/s1
InChIKeyFRUZEAHHALYPPC-PZWMBNAFSA-N
MW3235.96 g/mol
LogP32.83
Rot. Bonds45

About [(3S,4S)-1-[3,5-bis[(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-[3,5-bis[(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 100925144) has the molecular formula C165H261N9O33Si12 and a molecular weight of 3235.96 g/mol. Its IUPAC name is [(3S,4S)-1-[3,5-bis[(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-[3,5-bis[(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 CID100925144
Molecular FormulaC165H261N9O33Si12
Molecular Weight3235.96 g/mol
Exact Mass3232.63
IUPAC Name[(3S,4S)-1-[3,5-bis[(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)c4cc(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)cc(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)c4)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/C165H261N9O33Si12/c1-154(2,3)208(37,38)196-127-94-169(95-128(127)197-209(39,40)155(4,5)6)139(175)106-61-73-112(74-62-106)148(184)190-121-88-166(89-122(121)191-149(185)113-75-63-107(64-76-113)140(176)170-96-129(198-210(41,42)156(7,8)9)130(97-170)199-211(43,44)157(10,11)12)145(181)118-85-119(146(182)167-90-123(192-150(186)114-77-65-108(66-78-114)141(177)171-98-131(200-212(45,46)158(13,14)15)132(99-171)201-213(47,48)159(16,17)18)124(91-167)193-151(187)115-79-67-109(68-80-115)142(178)172-100-133(202-214(49,50)160(19,20)21)134(101-172)203-215(51,52)161(22,23)24)87-120(86-118)147(183)168-92-125(194-152(188)116-81-69-110(70-82-116)143(179)173-102-135(204-216(53,54)162(25,26)27)136(103-173)205-217(55,56)163(28,29)30)126(93-168)195-153(189)117-83-71-111(72-84-117)144(180)174-104-137(206-218(57,58)164(31,32)33)138(105-174)207-219(59,60)165(34,35)36/h61-87,121-138H,88-105H2,1-60H3/t121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-/m0/s1
InChIKeyFRUZEAHHALYPPC-PZWMBNAFSA-N
XLogP32.83
TPSA451.35 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds45
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003235.96
LogP ≤ 532.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze [(3S,4S)-1-[3,5-bis[(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-[3,5-bis[(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-[3,5-bis[(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 100925144) is [(3S,4S)-1-[3,5-bis[(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-[3,5-bis[(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-[3,5-bis[(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)c4cc(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)cc(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)c4)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-[3,5-bis[(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 FRUZEAHHALYPPC-PZWMBNAFSA-N. The full InChI is InChI=1S/C165H261N9O33Si12/c1-154(2,3)208(37,38)196-127-94-169(95-128(127)197-209(39,40)155(4,5)6)139(175)106-61-73-112(74-62-106)148(184)190-121-88-166(89-122(121)191-149(185)113-75-63-107(64-76-113)140(176)170-96-129(198-210(41,42)156(7,8)9)130(97-170)199-211(43,44)157(10,11)12)145(181)118-85-119(146(182)167-90-123(192-150(186)114-77-65-108(66-78-114)141(177)171-98-131(200-212(45,46)158(13,14)15)132(99-171)201-213(47,48)159(16,17)18)124(91-167)193-151(187)115-79-67-109(68-80-115)142(178)172-100-133(202-214(49,50)160(19,20)21)134(101-172)203-215(51,52)161(22,23)24)87-120(86-118)147(183)168-92-125(194-152(188)116-81-69-110(70-82-116)143(179)173-102-135(204-216(53,54)162(25,26)27)136(103-173)205-217(55,56)163(28,29)30)126(93-168)195-153(189)117-83-71-111(72-84-117)144(180)174-104-137(206-218(57,58)164(31,32)33)138(105-174)207-219(59,60)165(34,35)36/h61-87,121-138H,88-105H2,1-60H3/t121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-/m0/s1.
What are the key properties of [(3S,4S)-1-[3,5-bis[(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-[3,5-bis[(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 3235.96 g/mol, XLogP of 32.83, 45 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-[3,5-bis[(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 100925144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).