bis(benzyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate);benzyl 2-[(1R,3S,6S,7S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methylpentanoyl]-(butanoyloxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carboxylate;dibutyl(oxo)tin;methyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate;(2R)-1-methylpiperidine-2-carboxylic acid;phenylmethanol

C187H282N26O33S6Si2Sn — CID 162226932

IUPACbis(benzyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate);benzyl 2-[(1R,3S,6S,7S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methylpentanoyl]-(butanoyloxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carboxylate;dibutyl(oxo)tin;methyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate;(2R)-1-methylpiperidine-2-carboxylic acid;phenylmethanol
SMILESCCCC(=O)OCN(C(=O)[C@@H](N=[N+]=[N-])[C@@H](C)CC)[C@H](C[C@@H](O[Si](CC)(CC)CC)c1nc(C(=O)OCc2ccccc2)cs1)C(C)C.CCCC(=O)OCN(C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)[C@H](C[C@@H](O)c1nc(C(=O)OCc2ccccc2)cs1)C(C)C.CCCC[Sn](=O)CCCC.CC[C@H](C)[C@H](N=[N+]=[N-])C(=O)C[C@H](C[C@@H](O)c1nc(C(=O)OC)cs1)C(C)C.CC[C@H](C)[C@H](N=[N+]=[N-])C(=O)C[C@H](C[C@@H](O)c1nc(C(=O)OCc2ccccc2)cs1)C(C)C.CC[C@H](C)[C@H](N=[N+]=[N-])C(=O)C[C@H](C[C@@H](O)c1nc(C(=O)OCc2ccccc2)cs1)C(C)C.CC[C@H](C)[C@H](N=[N+]=[N-])C(=O)C[C@H](C[C@@H](O[Si](CC)(CC)CC)c1nc(C(=O)OCc2ccccc2)cs1)C(C)C.CN1CCCC[C@@H]1C(=O)O.OCc1ccccc1
InChIInChI=1S/C35H52N4O7S.C34H53N5O6SSi.C30H46N4O4SSi.2C24H32N4O4S.C18H28N4O4S.C7H13NO2.C7H8O.2C4H9.O.Sn/c1-7-14-30(41)46-22-39(34(43)31(24(5)8-2)37-32(42)27-17-12-13-18-38(27)6)28(23(3)4)19-29(40)33-36-26(21-47-33)35(44)45-20-25-15-10-9-11-16-25;1-9-17-30(40)44-23-39(33(41)31(37-38-35)25(8)10-2)28(24(6)7)20-29(45-47(11-3,12-4)13-5)32-36-27(22-46-32)34(42)43-21-26-18-15-14-16-19-26;1-8-22(7)28(33-34-31)26(35)17-24(21(5)6)18-27(38-40(9-2,10-3)11-4)29-32-25(20-39-29)30(36)37-19-23-15-13-12-14-16-23;2*1-5-16(4)22(27-28-25)20(29)11-18(15(2)3)12-21(30)23-26-19(14-33-23)24(31)32-13-17-9-7-6-8-10-17;1-6-11(4)16(21-22-19)14(23)7-12(10(2)3)8-15(24)17-20-13(9-27-17)18(25)26-5;1-8-5-3-2-4-6(8)7(9)10;8-6-7-4-2-1-3-5-7;2*1-3-4-2;;/h9-11,15-16,21,23-24,27-29,31,40H,7-8,12-14,17-20,22H2,1-6H3,(H,37,42);14-16,18-19,22,24-25,28-29,31H,9-13,17,20-21,23H2,1-8H3;12-16,20-22,24,27-28H,8-11,17-19H2,1-7H3;2*6-10,14-16,18,21-22,30H,5,11-13H2,1-4H3;9-12,15-16,24H,6-8H2,1-5H3;6H,2-5H2,1H3,(H,9,10);1-5,8H,6H2;2*1,3-4H2,2H3;;/t24-,27+,28+,29+,31-;25-,28+,29+,31-;22-,24+,27+,28-;2*16-,18+,21+,22-;11-,12+,15+,16-;6-;;;;;/m0000001...../s1
InChIKeyAUWBJQHPQBZSMG-LTIGOUTESA-N
MW3789.75 g/mol
LogP43.65
Rot. Bonds101

About bis(benzyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate);benzyl 2-[(1R,3S,6S,7S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methylpentanoyl]-(butanoyloxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carboxylate;dibutyl(oxo)tin;methyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate;(2R)-1-methylpiperidine-2-carboxylic acid;phenylmethanol

bis(benzyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate);benzyl 2-[(1R,3S,6S,7S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methylpentanoyl]-(butanoyloxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carboxylate;dibutyl(oxo)tin;methyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate;(2R)-1-methylpiperidine-2-carboxylic acid;phenylmethanol (PubChem CID 162226932) has the molecular formula C187H282N26O33S6Si2Sn and a molecular weight of 3789.75 g/mol. Its IUPAC name is bis(benzyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate);benzyl 2-[(1R,3S,6S,7S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methylpentanoyl]-(butanoyloxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carboxylate;dibutyl(oxo)tin;methyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate;(2R)-1-methylpiperidine-2-carboxylic acid;phenylmethanol.

Molecular Properties

Compound Namebis(benzyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate);benzyl 2-[(1R,3S,6S,7S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methylpentanoyl]-(butanoyloxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carboxylate;dibutyl(oxo)tin;methyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate;(2R)-1-methylpiperidine-2-carboxylic acid;phenylmethanol
PubChem CID162226932
Molecular FormulaC187H282N26O33S6Si2Sn
Molecular Weight3789.75 g/mol
Exact Mass3787.81
IUPAC Namebis(benzyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate);benzyl 2-[(1R,3S,6S,7S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methylpentanoyl]-(butanoyloxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carboxylate;dibutyl(oxo)tin;methyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate;(2R)-1-methylpiperidine-2-carboxylic acid;phenylmethanol
SMILESCCCC(=O)OCN(C(=O)[C@@H](N=[N+]=[N-])[C@@H](C)CC)[C@H](C[C@@H](O[Si](CC)(CC)CC)c1nc(C(=O)OCc2ccccc2)cs1)C(C)C.CCCC(=O)OCN(C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)[C@H](C[C@@H](O)c1nc(C(=O)OCc2ccccc2)cs1)C(C)C.CCCC[Sn](=O)CCCC.CC[C@H](C)[C@H](N=[N+]=[N-])C(=O)C[C@H](C[C@@H](O)c1nc(C(=O)OC)cs1)C(C)C.CC[C@H](C)[C@H](N=[N+]=[N-])C(=O)C[C@H](C[C@@H](O)c1nc(C(=O)OCc2ccccc2)cs1)C(C)C.CC[C@H](C)[C@H](N=[N+]=[N-])C(=O)C[C@H](C[C@@H](O)c1nc(C(=O)OCc2ccccc2)cs1)C(C)C.CC[C@H](C)[C@H](N=[N+]=[N-])C(=O)C[C@H](C[C@@H](O[Si](CC)(CC)CC)c1nc(C(=O)OCc2ccccc2)cs1)C(C)C.CN1CCCC[C@@H]1C(=O)O.OCc1ccccc1
InChIInChI=1S/C35H52N4O7S.C34H53N5O6SSi.C30H46N4O4SSi.2C24H32N4O4S.C18H28N4O4S.C7H13NO2.C7H8O.2C4H9.O.Sn/c1-7-14-30(41)46-22-39(34(43)31(24(5)8-2)37-32(42)27-17-12-13-18-38(27)6)28(23(3)4)19-29(40)33-36-26(21-47-33)35(44)45-20-25-15-10-9-11-16-25;1-9-17-30(40)44-23-39(33(41)31(37-38-35)25(8)10-2)28(24(6)7)20-29(45-47(11-3,12-4)13-5)32-36-27(22-46-32)34(42)43-21-26-18-15-14-16-19-26;1-8-22(7)28(33-34-31)26(35)17-24(21(5)6)18-27(38-40(9-2,10-3)11-4)29-32-25(20-39-29)30(36)37-19-23-15-13-12-14-16-23;2*1-5-16(4)22(27-28-25)20(29)11-18(15(2)3)12-21(30)23-26-19(14-33-23)24(31)32-13-17-9-7-6-8-10-17;1-6-11(4)16(21-22-19)14(23)7-12(10(2)3)8-15(24)17-20-13(9-27-17)18(25)26-5;1-8-5-3-2-4-6(8)7(9)10;8-6-7-4-2-1-3-5-7;2*1-3-4-2;;/h9-11,15-16,21,23-24,27-29,31,40H,7-8,12-14,17-20,22H2,1-6H3,(H,37,42);14-16,18-19,22,24-25,28-29,31H,9-13,17,20-21,23H2,1-8H3;12-16,20-22,24,27-28H,8-11,17-19H2,1-7H3;2*6-10,14-16,18,21-22,30H,5,11-13H2,1-4H3;9-12,15-16,24H,6-8H2,1-5H3;6H,2-5H2,1H3,(H,9,10);1-5,8H,6H2;2*1,3-4H2,2H3;;/t24-,27+,28+,29+,31-;25-,28+,29+,31-;22-,24+,27+,28-;2*16-,18+,21+,22-;11-,12+,15+,16-;6-;;;;;/m0000001...../s1
InChIKeyAUWBJQHPQBZSMG-LTIGOUTESA-N
XLogP43.65
TPSA850.00 Ų
H-Bond Donors7
H-Bond Acceptors51
Rotatable Bonds101
Heavy Atoms255
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003789.75
LogP ≤ 543.65
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1051

Analyze bis(benzyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate);benzyl 2-[(1R,3S,6S,7S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methylpentanoyl]-(butanoyloxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carboxylate;dibutyl(oxo)tin;methyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate;(2R)-1-methylpiperidine-2-carboxylic acid;phenylmethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(benzyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate);benzyl 2-[(1R,3S,6S,7S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methylpentanoyl]-(butanoyloxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carboxylate;dibutyl(oxo)tin;methyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate;(2R)-1-methylpiperidine-2-carboxylic acid;phenylmethanol?
The IUPAC name of bis(benzyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate);benzyl 2-[(1R,3S,6S,7S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methylpentanoyl]-(butanoyloxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carboxylate;dibutyl(oxo)tin;methyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate;(2R)-1-methylpiperidine-2-carboxylic acid;phenylmethanol (CID 162226932) is bis(benzyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate);benzyl 2-[(1R,3S,6S,7S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methylpentanoyl]-(butanoyloxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carboxylate;dibutyl(oxo)tin;methyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate;(2R)-1-methylpiperidine-2-carboxylic acid;phenylmethanol.
What is the SMILES notation for bis(benzyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate);benzyl 2-[(1R,3S,6S,7S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methylpentanoyl]-(butanoyloxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carboxylate;dibutyl(oxo)tin;methyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate;(2R)-1-methylpiperidine-2-carboxylic acid;phenylmethanol?
The canonical SMILES for bis(benzyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate);benzyl 2-[(1R,3S,6S,7S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methylpentanoyl]-(butanoyloxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carboxylate;dibutyl(oxo)tin;methyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate;(2R)-1-methylpiperidine-2-carboxylic acid;phenylmethanol is CCCC(=O)OCN(C(=O)[C@@H](N=[N+]=[N-])[C@@H](C)CC)[C@H](C[C@@H](O[Si](CC)(CC)CC)c1nc(C(=O)OCc2ccccc2)cs1)C(C)C.CCCC(=O)OCN(C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)[C@H](C[C@@H](O)c1nc(C(=O)OCc2ccccc2)cs1)C(C)C.CCCC[Sn](=O)CCCC.CC[C@H](C)[C@H](N=[N+]=[N-])C(=O)C[C@H](C[C@@H](O)c1nc(C(=O)OC)cs1)C(C)C.CC[C@H](C)[C@H](N=[N+]=[N-])C(=O)C[C@H](C[C@@H](O)c1nc(C(=O)OCc2ccccc2)cs1)C(C)C.CC[C@H](C)[C@H](N=[N+]=[N-])C(=O)C[C@H](C[C@@H](O)c1nc(C(=O)OCc2ccccc2)cs1)C(C)C.CC[C@H](C)[C@H](N=[N+]=[N-])C(=O)C[C@H](C[C@@H](O[Si](CC)(CC)CC)c1nc(C(=O)OCc2ccccc2)cs1)C(C)C.CN1CCCC[C@@H]1C(=O)O.OCc1ccccc1.
What is the InChIKey of bis(benzyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate);benzyl 2-[(1R,3S,6S,7S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methylpentanoyl]-(butanoyloxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carboxylate;dibutyl(oxo)tin;methyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate;(2R)-1-methylpiperidine-2-carboxylic acid;phenylmethanol?
The InChIKey is AUWBJQHPQBZSMG-LTIGOUTESA-N. The full InChI is InChI=1S/C35H52N4O7S.C34H53N5O6SSi.C30H46N4O4SSi.2C24H32N4O4S.C18H28N4O4S.C7H13NO2.C7H8O.2C4H9.O.Sn/c1-7-14-30(41)46-22-39(34(43)31(24(5)8-2)37-32(42)27-17-12-13-18-38(27)6)28(23(3)4)19-29(40)33-36-26(21-47-33)35(44)45-20-25-15-10-9-11-16-25;1-9-17-30(40)44-23-39(33(41)31(37-38-35)25(8)10-2)28(24(6)7)20-29(45-47(11-3,12-4)13-5)32-36-27(22-46-32)34(42)43-21-26-18-15-14-16-19-26;1-8-22(7)28(33-34-31)26(35)17-24(21(5)6)18-27(38-40(9-2,10-3)11-4)29-32-25(20-39-29)30(36)37-19-23-15-13-12-14-16-23;2*1-5-16(4)22(27-28-25)20(29)11-18(15(2)3)12-21(30)23-26-19(14-33-23)24(31)32-13-17-9-7-6-8-10-17;1-6-11(4)16(21-22-19)14(23)7-12(10(2)3)8-15(24)17-20-13(9-27-17)18(25)26-5;1-8-5-3-2-4-6(8)7(9)10;8-6-7-4-2-1-3-5-7;2*1-3-4-2;;/h9-11,15-16,21,23-24,27-29,31,40H,7-8,12-14,17-20,22H2,1-6H3,(H,37,42);14-16,18-19,22,24-25,28-29,31H,9-13,17,20-21,23H2,1-8H3;12-16,20-22,24,27-28H,8-11,17-19H2,1-7H3;2*6-10,14-16,18,21-22,30H,5,11-13H2,1-4H3;9-12,15-16,24H,6-8H2,1-5H3;6H,2-5H2,1H3,(H,9,10);1-5,8H,6H2;2*1,3-4H2,2H3;;/t24-,27+,28+,29+,31-;25-,28+,29+,31-;22-,24+,27+,28-;2*16-,18+,21+,22-;11-,12+,15+,16-;6-;;;;;/m0000001...../s1.
What are the key properties of bis(benzyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate);benzyl 2-[(1R,3S,6S,7S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methylpentanoyl]-(butanoyloxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carboxylate;dibutyl(oxo)tin;methyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate;(2R)-1-methylpiperidine-2-carboxylic acid;phenylmethanol?
bis(benzyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate);benzyl 2-[(1R,3S,6S,7S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methylpentanoyl]-(butanoyloxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carboxylate;dibutyl(oxo)tin;methyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate;(2R)-1-methylpiperidine-2-carboxylic acid;phenylmethanol has a molecular weight of 3789.75 g/mol, XLogP of 43.65, 101 rotatable bonds, 7 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate);benzyl 2-[(1R,3S,6S,7S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methylpentanoyl]-(butanoyloxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carboxylate;dibutyl(oxo)tin;methyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate;(2R)-1-methylpiperidine-2-carboxylic acid;phenylmethanol is sourced from PubChem (CID 162226932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).