3-aminopropanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoyl chloride;(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl chloride;(3-chloro-3-oxopropyl) (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoate;sulfuryl dichloride

C168H306Cl5N3O25SSi12 — CID 158949314

IUPAC3-aminopropanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoyl chloride;(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl chloride;(3-chloro-3-oxopropyl) (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoate;sulfuryl dichloride
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CC[C@@H]1[C@@H](C/C=C\CCCC(=O)Cl)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)c1ccccc1.CC(C)(C)[Si](C)(C)O[C@@H](CC[C@@H]1[C@@H](C/C=C\CCCC(=O)NCCC(=O)Cl)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)c1ccccc1.CC(C)(C)[Si](C)(C)O[C@@H](CC[C@@H]1[C@@H](C/C=C\CCCC(=O)NCCC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)c1ccccc1.CC(C)(C)[Si](C)(C)O[C@@H](CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OCCC(=O)Cl)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)c1ccccc1.NCCC(=O)O.O=S(=O)(Cl)Cl
InChIInChI=1S/C42H76ClNO5Si3.C42H75ClO6Si3.C42H77NO6Si3.C39H71ClO4Si3.C3H7NO2.Cl2O2S/c1-40(2,3)50(10,11)47-35(32-23-19-18-20-24-32)28-27-34-33(25-21-16-17-22-26-39(46)44-30-29-38(43)45)36(48-51(12,13)41(4,5)6)31-37(34)49-52(14,15)42(7,8)9;1-40(2,3)50(10,11)47-35(32-23-19-18-20-24-32)28-27-34-33(25-21-16-17-22-26-39(45)46-30-29-38(43)44)36(48-51(12,13)41(4,5)6)31-37(34)49-52(14,15)42(7,8)9;1-40(2,3)50(10,11)47-35(32-23-19-18-20-24-32)28-27-34-33(25-21-16-17-22-26-38(44)43-30-29-39(45)46)36(48-51(12,13)41(4,5)6)31-37(34)49-52(14,15)42(7,8)9;1-37(2,3)45(10,11)42-33(30-23-19-18-20-24-30)28-27-32-31(25-21-16-17-22-26-36(40)41)34(43-46(12,13)38(4,5)6)29-35(32)44-47(14,15)39(7,8)9;4-2-1-3(5)6;1-5(2,3)4/h16,18-21,23-24,33-37H,17,22,25-31H2,1-15H3,(H,44,46);16,18-21,23-24,33-37H,17,22,25-31H2,1-15H3;16,18-21,23-24,33-37H,17,22,25-31H2,1-15H3,(H,43,44)(H,45,46);16,18-21,23-24,31-35H,17,22,25-29H2,1-15H3;1-2,4H2,(H,5,6);/b4*21-16-;;/t3*33-,34-,35+,36+,37-;31-,32-,33+,34+,35-;;/m1111../s1
InChIKeyJLFKWTIETMVTSZ-BSNNDFAZSA-N
MW3314.66 g/mol
LogP49.71
Rot. Bonds75

About 3-aminopropanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoyl chloride;(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl chloride;(3-chloro-3-oxopropyl) (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoate;sulfuryl dichloride

3-aminopropanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoyl chloride;(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl chloride;(3-chloro-3-oxopropyl) (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoate;sulfuryl dichloride (PubChem CID 158949314) has the molecular formula C168H306Cl5N3O25SSi12 and a molecular weight of 3314.66 g/mol. Its IUPAC name is 3-aminopropanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoyl chloride;(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl chloride;(3-chloro-3-oxopropyl) (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoate;sulfuryl dichloride.

Molecular Properties

Compound Name3-aminopropanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoyl chloride;(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl chloride;(3-chloro-3-oxopropyl) (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoate;sulfuryl dichloride
PubChem CID158949314
Molecular FormulaC168H306Cl5N3O25SSi12
Molecular Weight3314.66 g/mol
Exact Mass3308.82
IUPAC Name3-aminopropanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoyl chloride;(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl chloride;(3-chloro-3-oxopropyl) (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoate;sulfuryl dichloride
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CC[C@@H]1[C@@H](C/C=C\CCCC(=O)Cl)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)c1ccccc1.CC(C)(C)[Si](C)(C)O[C@@H](CC[C@@H]1[C@@H](C/C=C\CCCC(=O)NCCC(=O)Cl)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)c1ccccc1.CC(C)(C)[Si](C)(C)O[C@@H](CC[C@@H]1[C@@H](C/C=C\CCCC(=O)NCCC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)c1ccccc1.CC(C)(C)[Si](C)(C)O[C@@H](CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OCCC(=O)Cl)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)c1ccccc1.NCCC(=O)O.O=S(=O)(Cl)Cl
InChIInChI=1S/C42H76ClNO5Si3.C42H75ClO6Si3.C42H77NO6Si3.C39H71ClO4Si3.C3H7NO2.Cl2O2S/c1-40(2,3)50(10,11)47-35(32-23-19-18-20-24-32)28-27-34-33(25-21-16-17-22-26-39(46)44-30-29-38(43)45)36(48-51(12,13)41(4,5)6)31-37(34)49-52(14,15)42(7,8)9;1-40(2,3)50(10,11)47-35(32-23-19-18-20-24-32)28-27-34-33(25-21-16-17-22-26-39(45)46-30-29-38(43)44)36(48-51(12,13)41(4,5)6)31-37(34)49-52(14,15)42(7,8)9;1-40(2,3)50(10,11)47-35(32-23-19-18-20-24-32)28-27-34-33(25-21-16-17-22-26-38(44)43-30-29-39(45)46)36(48-51(12,13)41(4,5)6)31-37(34)49-52(14,15)42(7,8)9;1-37(2,3)45(10,11)42-33(30-23-19-18-20-24-30)28-27-32-31(25-21-16-17-22-26-36(40)41)34(43-46(12,13)38(4,5)6)29-35(32)44-47(14,15)39(7,8)9;4-2-1-3(5)6;1-5(2,3)4/h16,18-21,23-24,33-37H,17,22,25-31H2,1-15H3,(H,44,46);16,18-21,23-24,33-37H,17,22,25-31H2,1-15H3;16,18-21,23-24,33-37H,17,22,25-31H2,1-15H3,(H,43,44)(H,45,46);16,18-21,23-24,31-35H,17,22,25-29H2,1-15H3;1-2,4H2,(H,5,6);/b4*21-16-;;/t3*33-,34-,35+,36+,37-;31-,32-,33+,34+,35-;;/m1111../s1
InChIKeyJLFKWTIETMVTSZ-BSNNDFAZSA-N
XLogP49.71
TPSA381.23 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds75
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003314.66
LogP ≤ 549.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 3-aminopropanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoyl chloride;(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl chloride;(3-chloro-3-oxopropyl) (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoate;sulfuryl dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chloro-3-oxopropyl) (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;[3-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-3-oxopropyl] (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;[3-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-3-oxopropyl] (Z)-7-[(1R,2R,3R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
CID 159729740
methyl (Z)-7-[(1R,2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate
CID 140538305
methyl (Z)-7-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-fluorocyclopentyl]hept-5-enoate
CID 146027800
methyl (Z)-7-[(1S,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-formylcyclopentyl]hept-5-enoate
CID 11145509
(Z)-7-[(1S,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 11527692
methyl (Z)-7-[(1R,2S,3R,5S)-2-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-hydroxy-3-methylcyclopentyl]hept-5-enoate
CID 58260079
methyl 7-[(1R,2R,5S)-2-(4-anilino-4-oxobutyl)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentyl]heptanoate
CID 59910577
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-[(3R)-5-phenyl-3-triethylsilyloxypentyl]-5-triethylsilyloxy-3-trimethylsilyloxycyclopentyl]hept-5-enoate
CID 23649139
methyl 7-[(1R,2R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(3-hydroxy-4-phenyliminobutyl)cyclopentyl]heptanoate
CID 59910557
(Z)-7-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid
CID 59905097
methyl 7-[(1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-[4-(2-methyl-1-oxopropan-2-yl)phenyl]cyclopentyl]hept-5-enoate
CID 91222746
methyl 7-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-[4-(2-methyl-1-oxopropan-2-yl)phenyl]cyclopentyl]hept-5-enoate
CID 90971812

Frequently Asked Questions

What is the IUPAC name of 3-aminopropanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoyl chloride;(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl chloride;(3-chloro-3-oxopropyl) (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoate;sulfuryl dichloride?
The IUPAC name of 3-aminopropanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoyl chloride;(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl chloride;(3-chloro-3-oxopropyl) (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoate;sulfuryl dichloride (CID 158949314) is 3-aminopropanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoyl chloride;(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl chloride;(3-chloro-3-oxopropyl) (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoate;sulfuryl dichloride.
What is the SMILES notation for 3-aminopropanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoyl chloride;(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl chloride;(3-chloro-3-oxopropyl) (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoate;sulfuryl dichloride?
The canonical SMILES for 3-aminopropanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoyl chloride;(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl chloride;(3-chloro-3-oxopropyl) (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoate;sulfuryl dichloride is CC(C)(C)[Si](C)(C)O[C@@H](CC[C@@H]1[C@@H](C/C=C\CCCC(=O)Cl)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)c1ccccc1.CC(C)(C)[Si](C)(C)O[C@@H](CC[C@@H]1[C@@H](C/C=C\CCCC(=O)NCCC(=O)Cl)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)c1ccccc1.CC(C)(C)[Si](C)(C)O[C@@H](CC[C@@H]1[C@@H](C/C=C\CCCC(=O)NCCC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)c1ccccc1.CC(C)(C)[Si](C)(C)O[C@@H](CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OCCC(=O)Cl)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)c1ccccc1.NCCC(=O)O.O=S(=O)(Cl)Cl.
What is the InChIKey of 3-aminopropanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoyl chloride;(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl chloride;(3-chloro-3-oxopropyl) (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoate;sulfuryl dichloride?
The InChIKey is JLFKWTIETMVTSZ-BSNNDFAZSA-N. The full InChI is InChI=1S/C42H76ClNO5Si3.C42H75ClO6Si3.C42H77NO6Si3.C39H71ClO4Si3.C3H7NO2.Cl2O2S/c1-40(2,3)50(10,11)47-35(32-23-19-18-20-24-32)28-27-34-33(25-21-16-17-22-26-39(46)44-30-29-38(43)45)36(48-51(12,13)41(4,5)6)31-37(34)49-52(14,15)42(7,8)9;1-40(2,3)50(10,11)47-35(32-23-19-18-20-24-32)28-27-34-33(25-21-16-17-22-26-39(45)46-30-29-38(43)44)36(48-51(12,13)41(4,5)6)31-37(34)49-52(14,15)42(7,8)9;1-40(2,3)50(10,11)47-35(32-23-19-18-20-24-32)28-27-34-33(25-21-16-17-22-26-38(44)43-30-29-39(45)46)36(48-51(12,13)41(4,5)6)31-37(34)49-52(14,15)42(7,8)9;1-37(2,3)45(10,11)42-33(30-23-19-18-20-24-30)28-27-32-31(25-21-16-17-22-26-36(40)41)34(43-46(12,13)38(4,5)6)29-35(32)44-47(14,15)39(7,8)9;4-2-1-3(5)6;1-5(2,3)4/h16,18-21,23-24,33-37H,17,22,25-31H2,1-15H3,(H,44,46);16,18-21,23-24,33-37H,17,22,25-31H2,1-15H3;16,18-21,23-24,33-37H,17,22,25-31H2,1-15H3,(H,43,44)(H,45,46);16,18-21,23-24,31-35H,17,22,25-29H2,1-15H3;1-2,4H2,(H,5,6);/b4*21-16-;;/t3*33-,34-,35+,36+,37-;31-,32-,33+,34+,35-;;/m1111../s1.
What are the key properties of 3-aminopropanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoyl chloride;(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl chloride;(3-chloro-3-oxopropyl) (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoate;sulfuryl dichloride?
3-aminopropanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoyl chloride;(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl chloride;(3-chloro-3-oxopropyl) (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoate;sulfuryl dichloride has a molecular weight of 3314.66 g/mol, XLogP of 49.71, 75 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoic acid;3-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl]amino]propanoyl chloride;(Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoyl chloride;(3-chloro-3-oxopropyl) (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]cyclopentyl]hept-5-enoate;sulfuryl dichloride is sourced from PubChem (CID 158949314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).