About (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
(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 (PubChem CID 159729740) has the molecular formula C150H255ClN6O30S9Si7
and a molecular weight of 3143.36 g/mol. Its IUPAC name is (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.
Frequently Asked Questions
What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)(C)[Si](C)(C)O[C@H](CCc1ccccc1)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.CCN(C(=O)CCOC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@@H](CCc2ccccc2)O[Si](C)(C)C(C)(C)C)[C@H](O)C[C@@H]1O)[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.CCN(C(=O)CCOC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@@H](CCc2ccccc2)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C)[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.
What is the InChIKey of (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?
The InChIKey is NBBYKWLHOBXOMQ-WDMVZJIISA-N. The full InChI is InChI=1S/C54H94N2O10S3Si3.C44H79ClO6Si3.C42H66N2O10S3Si.C10H16N2O4S3/c1-18-56(45-36-39(2)68(59,60)51-44(45)37-50(67-51)69(55,61)62)48(57)34-35-63-49(58)29-25-20-19-24-28-42-43(33-32-41(64-70(12,13)52(3,4)5)31-30-40-26-22-21-23-27-40)47(66-72(16,17)54(9,10)11)38-46(42)65-71(14,15)53(6,7)8;1-42(2,3)52(10,11)49-35(28-27-34-23-19-18-20-24-34)29-30-37-36(25-21-16-17-22-26-41(47)48-32-31-40(45)46)38(50-53(12,13)43(4,5)6)33-39(37)51-54(14,15)44(7,8)9;1-8-44(35-26-29(2)56(49,50)41-34(35)27-40(55-41)57(43,51)52)38(47)24-25-53-39(48)19-15-10-9-14-18-32-33(37(46)28-36(32)45)23-22-31(54-58(6,7)42(3,4)5)21-20-30-16-12-11-13-17-30;1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h19,21-24,26-27,37,39,41-43,45-47H,18,20,25,28-36,38H2,1-17H3,(H2,55,61,62);16,18-21,23-24,35-39H,17,22,25-33H2,1-15H3;9,11-14,16-17,27,29,31-33,35-37,45-46H,8,10,15,18-26,28H2,1-7H3,(H2,43,51,52);5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/b24-19-;21-16-;14-9-;/t39-,41+,42+,43+,45-,46-,47+;35-,36-,37-,38+,39-;29-,31+,32+,33+,35-,36-,37+;6-,8-/m0100/s1.
What are the key properties of (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?
(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 has a molecular weight of 3143.36 g/mol, XLogP of 33.82, 68 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159729740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).