(2S)-1-[(2R)-7-[[[[[[[[[[[[[[[[[[[[[[[[[2-aminoethyl(dimethyl)silyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxy-2-[(4-methoxyphenyl)sulfonylmethyl]-4-oxoheptanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide

C104H239N5O31SSi25 — CID 160626854

IUPAC(2S)-1-[(2R)-7-[[[[[[[[[[[[[[[[[[[[[[[[[2-aminoethyl(dimethyl)silyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxy-2-[(4-methoxyphenyl)sulfonylmethyl]-4-oxoheptanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
SMILES[H]/N=C(\N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)CCCO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CCN)CS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C104H239N5O31SSi25/c1-115-99-60-62-100(63-61-99)141(113,114)70-97(104(112)109-65-52-55-101(109)103(111)108-69-95-56-58-96(59-57-95)102(106)107)68-98(110)54-53-66-116-143(4,5)72-118-145(8,9)74-120-147(12,13)76-122-149(16,17)78-124-151(20,21)80-126-153(24,25)82-128-155(28,29)84-130-157(32,33)86-132-159(36,37)88-134-161(40,41)90-136-163(44,45)92-138-165(48,49)94-140-166(50,51)93-139-164(46,47)91-137-162(42,43)89-135-160(38,39)87-133-158(34,35)85-131-156(30,31)83-129-154(26,27)81-127-152(22,23)79-125-150(18,19)77-123-148(14,15)75-121-146(10,11)73-119-144(6,7)71-117-142(2,3)67-64-105/h56-63,97,101H,52-55,64-94,105H2,1-51H3,(H3,106,107)(H,108,111)/t97-,101-/m0/s1
InChIKeyRHKLFVXLSKFROT-IRPZOYJHSA-N
MW2790.28 g/mol
LogP20.86
Rot. Bonds90

About (2S)-1-[(2R)-7-[[[[[[[[[[[[[[[[[[[[[[[[[2-aminoethyl(dimethyl)silyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxy-2-[(4-methoxyphenyl)sulfonylmethyl]-4-oxoheptanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide

(2S)-1-[(2R)-7-[[[[[[[[[[[[[[[[[[[[[[[[[2-aminoethyl(dimethyl)silyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxy-2-[(4-methoxyphenyl)sulfonylmethyl]-4-oxoheptanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 160626854) has the molecular formula C104H239N5O31SSi25 and a molecular weight of 2790.28 g/mol. Its IUPAC name is (2S)-1-[(2R)-7-[[[[[[[[[[[[[[[[[[[[[[[[[2-aminoethyl(dimethyl)silyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxy-2-[(4-methoxyphenyl)sulfonylmethyl]-4-oxoheptanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2R)-7-[[[[[[[[[[[[[[[[[[[[[[[[[2-aminoethyl(dimethyl)silyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxy-2-[(4-methoxyphenyl)sulfonylmethyl]-4-oxoheptanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID160626854
Molecular FormulaC104H239N5O31SSi25
Molecular Weight2790.28 g/mol
Exact Mass2786.12
IUPAC Name(2S)-1-[(2R)-7-[[[[[[[[[[[[[[[[[[[[[[[[[2-aminoethyl(dimethyl)silyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxy-2-[(4-methoxyphenyl)sulfonylmethyl]-4-oxoheptanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
SMILES[H]/N=C(\N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)CCCO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CCN)CS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C104H239N5O31SSi25/c1-115-99-60-62-100(63-61-99)141(113,114)70-97(104(112)109-65-52-55-101(109)103(111)108-69-95-56-58-96(59-57-95)102(106)107)68-98(110)54-53-66-116-143(4,5)72-118-145(8,9)74-120-147(12,13)76-122-149(16,17)78-124-151(20,21)80-126-153(24,25)82-128-155(28,29)84-130-157(32,33)86-132-159(36,37)88-134-161(40,41)90-136-163(44,45)92-138-165(48,49)94-140-166(50,51)93-139-164(46,47)91-137-162(42,43)89-135-160(38,39)87-133-158(34,35)85-131-156(30,31)83-129-154(26,27)81-127-152(22,23)79-125-150(18,19)77-123-148(14,15)75-121-146(10,11)73-119-144(6,7)71-117-142(2,3)67-64-105/h56-63,97,101H,52-55,64-94,105H2,1-51H3,(H3,106,107)(H,108,111)/t97-,101-/m0/s1
InChIKeyRHKLFVXLSKFROT-IRPZOYJHSA-N
XLogP20.86
TPSA416.49 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds90
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002790.28
LogP ≤ 520.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2S)-1-[(2R)-7-[[[[[[[[[[[[[[[[[[[[[[[[[2-aminoethyl(dimethyl)silyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxy-2-[(4-methoxyphenyl)sulfonylmethyl]-4-oxoheptanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

butane;N-[(4-carbamimidoylphenyl)methyl]-1-[4-(ethylamino)-2-[(4-methoxyphenyl)sulfonylamino]-4-oxobutanoyl]pyrrolidine-2-carboxamide;ethane;2-ethoxypropane
CID 144902448
1-(2-amino-4-methylpentanoyl)-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
CID 74433148
(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxamide
CID 71482840
(2S)-1-[(2R)-2-acetamido-3,3-diphenylpropanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
CID 10164556
(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 45140771
(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 54006375
acetic acid;(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 157336132
(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 45140191
(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[2-(methanesulfonamido)-3,3-diphenylpropanoyl]pyrrolidine-2-carboxamide
CID 59922003
(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(2-cyclopentylacetyl)pyrrolidine-2-carboxamide
CID 45139988
(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-[(4-carbamimidoylphenyl)methyl]piperidine-2-carboxamide
CID 147687428
(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 25113615

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-7-[[[[[[[[[[[[[[[[[[[[[[[[[2-aminoethyl(dimethyl)silyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxy-2-[(4-methoxyphenyl)sulfonylmethyl]-4-oxoheptanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2R)-7-[[[[[[[[[[[[[[[[[[[[[[[[[2-aminoethyl(dimethyl)silyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxy-2-[(4-methoxyphenyl)sulfonylmethyl]-4-oxoheptanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide (CID 160626854) is (2S)-1-[(2R)-7-[[[[[[[[[[[[[[[[[[[[[[[[[2-aminoethyl(dimethyl)silyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxy-2-[(4-methoxyphenyl)sulfonylmethyl]-4-oxoheptanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2R)-7-[[[[[[[[[[[[[[[[[[[[[[[[[2-aminoethyl(dimethyl)silyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxy-2-[(4-methoxyphenyl)sulfonylmethyl]-4-oxoheptanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2R)-7-[[[[[[[[[[[[[[[[[[[[[[[[[2-aminoethyl(dimethyl)silyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxy-2-[(4-methoxyphenyl)sulfonylmethyl]-4-oxoheptanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide is [H]/N=C(\N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)CCCO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CO[Si](C)(C)CCN)CS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2S)-1-[(2R)-7-[[[[[[[[[[[[[[[[[[[[[[[[[2-aminoethyl(dimethyl)silyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxy-2-[(4-methoxyphenyl)sulfonylmethyl]-4-oxoheptanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is RHKLFVXLSKFROT-IRPZOYJHSA-N. The full InChI is InChI=1S/C104H239N5O31SSi25/c1-115-99-60-62-100(63-61-99)141(113,114)70-97(104(112)109-65-52-55-101(109)103(111)108-69-95-56-58-96(59-57-95)102(106)107)68-98(110)54-53-66-116-143(4,5)72-118-145(8,9)74-120-147(12,13)76-122-149(16,17)78-124-151(20,21)80-126-153(24,25)82-128-155(28,29)84-130-157(32,33)86-132-159(36,37)88-134-161(40,41)90-136-163(44,45)92-138-165(48,49)94-140-166(50,51)93-139-164(46,47)91-137-162(42,43)89-135-160(38,39)87-133-158(34,35)85-131-156(30,31)83-129-154(26,27)81-127-152(22,23)79-125-150(18,19)77-123-148(14,15)75-121-146(10,11)73-119-144(6,7)71-117-142(2,3)67-64-105/h56-63,97,101H,52-55,64-94,105H2,1-51H3,(H3,106,107)(H,108,111)/t97-,101-/m0/s1.
What are the key properties of (2S)-1-[(2R)-7-[[[[[[[[[[[[[[[[[[[[[[[[[2-aminoethyl(dimethyl)silyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxy-2-[(4-methoxyphenyl)sulfonylmethyl]-4-oxoheptanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide?
(2S)-1-[(2R)-7-[[[[[[[[[[[[[[[[[[[[[[[[[2-aminoethyl(dimethyl)silyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxy-2-[(4-methoxyphenyl)sulfonylmethyl]-4-oxoheptanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 2790.28 g/mol, XLogP of 20.86, 90 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-7-[[[[[[[[[[[[[[[[[[[[[[[[[2-aminoethyl(dimethyl)silyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxymethyl-dimethylsilyl]oxy-2-[(4-methoxyphenyl)sulfonylmethyl]-4-oxoheptanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 160626854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).