(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]hept-5-enamide;3-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]hept-5-enoate;3-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-methoxyoctyl]cyclopentyl]hept-5-enoate;[(1R,2R,3R,4S)-3-[(Z)-7-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-7-oxohept-2-enyl]-4-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl] acetate;3-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyheptyl]cyclopentyl]hept-5-enoate

C168H259N13O46S14 — CID 161211947

About (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]hept-5-enamide;3-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]hept-5-enoate;3-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-methoxyoctyl]cyclopentyl]hept-5-enoate;[(1R,2R,3R,4S)-3-[(Z)-7-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-7-oxohept-2-enyl]-4-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl] acetate;3-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyheptyl]cyclopentyl]hept-5-enoate

(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]hept-5-enamide;3-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]hept-5-enoate;3-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-methoxyoctyl]cyclopentyl]hept-5-enoate;[(1R,2R,3R,4S)-3-[(Z)-7-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-7-oxohept-2-enyl]-4-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl] acetate;3-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyheptyl]cyclopentyl]hept-5-enoate (PubChem CID 161211947) has the molecular formula C168H259N13O46S14 and a molecular weight of 3645.90 g/mol. Its IUPAC name is (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]hept-5-enamide;3-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]hept-5-enoate;3-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-methoxyoctyl]cyclopentyl]hept-5-enoate;[(1R,2R,3R,4S)-3-[(Z)-7-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-7-oxohept-2-enyl]-4-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl] acetate;3-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyheptyl]cyclopentyl]hept-5-enoate.

Molecular Properties

• Compound Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]hept-5-enamide;3-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]hept-5-enoate;3-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-methoxyoctyl]cyclopentyl]hept-5-enoate;[(1R,2R,3R,4S)-3-[(Z)-7-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-7-oxohept-2-enyl]-4-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl] acetate;3-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyheptyl]cyclopentyl]hept-5-enoate
• PubChem CID: 161211947
• Molecular Formula: C168H259N13O46S14
• Molecular Weight: 3645.90 g/mol
• Exact Mass: 3642.44
• IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]hept-5-enamide;3-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]hept-5-enoate;3-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-methoxyoctyl]cyclopentyl]hept-5-enoate;[(1R,2R,3R,4S)-3-[(Z)-7-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-7-oxohept-2-enyl]-4-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl] acetate;3-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyheptyl]cyclopentyl]hept-5-enoate
• SMILES: CCCCC[C@@H](CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OCCC=NS(=O)(=O)c2cc3c(s2)S(=O)(=O)[C@@H](C)C[C@@H]3NCC)[C@@H](O)C[C@H]1O)OC.CCCCC[C@H](O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OCCC=NS(=O)(=O)c2cc3c(s2)S(=O)(=O)N(CCCOC)C[C@@H]3NCC)[C@@H](OC(C)=O)C[C@H]1O.CCCC[C@H](O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OCCC=NS(=O)(=O)c2nnc(CC(C)=O)s2)[C@@H](O)C[C@H]1O.CCN(C(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O)[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.CCN(C(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccccc2)[C@H](OC(C)=O)C[C@@H]1O)[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
• InChI: InChI=1S/C37H61N3O11S3.C35H51N3O9S3.C35H48N2O9S3.C34H56N2O9S3.C27H43N3O8S2/c1-5-7-10-15-28(42)18-19-29-30(34(25-33(29)43)51-27(3)41)16-11-8-9-12-17-35(44)50-23-13-20-39-53(45,46)36-24-31-32(38-6-2)26-40(21-14-22-49-4)54(47,48)37(31)52-36;1-3-38(30-24-37(20-11-21-47-2)50(45,46)35-29(30)22-34(48-35)49(36,43)44)33(42)15-10-5-4-9-14-27-28(32(41)23-31(27)40)19-18-26(39)17-16-25-12-7-6-8-13-25;1-4-37(30-20-23(2)48(42,43)35-29(30)21-34(47-35)49(36,44)45)33(41)15-11-6-5-10-14-27-28(32(22-31(27)40)46-24(3)38)19-18-26(39)17-16-25-12-8-7-9-13-25;1-5-7-10-14-25(44-4)17-18-27-26(30(37)23-31(27)38)15-11-8-9-12-16-32(39)45-20-13-19-36-48(42,43)33-22-28-29(35-6-2)21-24(3)47(40,41)34(28)46-33;1-3-4-10-20(32)13-14-22-21(23(33)18-24(22)34)11-7-5-6-8-12-26(35)38-16-9-15-28-40(36,37)27-30-29-25(39-27)17-19(2)31/h8,11,20,24,28-30,32-34,38,42-43H,5-7,9-10,12-19,21-23,25-26H2,1-4H3;4,6-9,12-13,18-19,22,26-28,30-32,39-41H,3,5,10-11,14-17,20-21,23-24H2,1-2H3,(H2,36,43,44);5,7-10,12-13,18-19,21,23,26-28,30-32,39-40H,4,6,11,14-17,20,22H2,1-3H3,(H2,36,44,45);8,11,19,22,24-27,29-31,35,37-38H,5-7,9-10,12-18,20-21,23H2,1-4H3;5,7,15,20-24,32-34H,3-4,6,8-14,16-18H2,1-2H3/b11-8-,39-20?;9-4-,19-18+;10-5-,19-18+;11-8-,36-19?;7-5-,28-15?/t28-,29+,30+,32-,33+,34-;26-,27+,28+,30-,31-,32+;23-,26-,27+,28+,30-,31-,32+;24-,25-,26+,27+,29-,30-,31+;20-,21+,22+,23-,24+/m00000/s1
• InChIKey: UWIUXAYOWVABJF-UMZIMCGJSA-N
• XLogP: 21.37
• TPSA: 912.34 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 55
• Rotatable Bonds: 98
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3645.90
LogP ≤ 5	21.37
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	55

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]hept-5-enamide;3-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]hept-5-enoate;3-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-methoxyoctyl]cyclopentyl]hept-5-enoate;[(1R,2R,3R,4S)-3-[(Z)-7-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-7-oxohept-2-enyl]-4-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl] acetate;3-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyheptyl]cyclopentyl]hept-5-enoate?

The IUPAC name of (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]hept-5-enamide;3-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]hept-5-enoate;3-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-methoxyoctyl]cyclopentyl]hept-5-enoate;[(1R,2R,3R,4S)-3-[(Z)-7-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-7-oxohept-2-enyl]-4-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl] acetate;3-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyheptyl]cyclopentyl]hept-5-enoate (CID 161211947) is (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]hept-5-enamide;3-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]hept-5-enoate;3-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-methoxyoctyl]cyclopentyl]hept-5-enoate;[(1R,2R,3R,4S)-3-[(Z)-7-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-7-oxohept-2-enyl]-4-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl] acetate;3-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyheptyl]cyclopentyl]hept-5-enoate.

What is the SMILES notation for (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]hept-5-enamide;3-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]hept-5-enoate;3-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-methoxyoctyl]cyclopentyl]hept-5-enoate;[(1R,2R,3R,4S)-3-[(Z)-7-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-7-oxohept-2-enyl]-4-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl] acetate;3-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyheptyl]cyclopentyl]hept-5-enoate?

The canonical SMILES for (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]hept-5-enamide;3-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]hept-5-enoate;3-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-methoxyoctyl]cyclopentyl]hept-5-enoate;[(1R,2R,3R,4S)-3-[(Z)-7-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-7-oxohept-2-enyl]-4-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl] acetate;3-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyheptyl]cyclopentyl]hept-5-enoate is CCCCC[C@@H](CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OCCC=NS(=O)(=O)c2cc3c(s2)S(=O)(=O)[C@@H](C)C[C@@H]3NCC)[C@@H](O)C[C@H]1O)OC.CCCCC[C@H](O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OCCC=NS(=O)(=O)c2cc3c(s2)S(=O)(=O)N(CCCOC)C[C@@H]3NCC)[C@@H](OC(C)=O)C[C@H]1O.CCCC[C@H](O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OCCC=NS(=O)(=O)c2nnc(CC(C)=O)s2)[C@@H](O)C[C@H]1O.CCN(C(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O)[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.CCN(C(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccccc2)[C@H](OC(C)=O)C[C@@H]1O)[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.

What is the InChIKey of (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]hept-5-enamide;3-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]hept-5-enoate;3-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-methoxyoctyl]cyclopentyl]hept-5-enoate;[(1R,2R,3R,4S)-3-[(Z)-7-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-7-oxohept-2-enyl]-4-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl] acetate;3-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyheptyl]cyclopentyl]hept-5-enoate?

The InChIKey is UWIUXAYOWVABJF-UMZIMCGJSA-N. The full InChI is InChI=1S/C37H61N3O11S3.C35H51N3O9S3.C35H48N2O9S3.C34H56N2O9S3.C27H43N3O8S2/c1-5-7-10-15-28(42)18-19-29-30(34(25-33(29)43)51-27(3)41)16-11-8-9-12-17-35(44)50-23-13-20-39-53(45,46)36-24-31-32(38-6-2)26-40(21-14-22-49-4)54(47,48)37(31)52-36;1-3-38(30-24-37(20-11-21-47-2)50(45,46)35-29(30)22-34(48-35)49(36,43)44)33(42)15-10-5-4-9-14-27-28(32(41)23-31(27)40)19-18-26(39)17-16-25-12-7-6-8-13-25;1-4-37(30-20-23(2)48(42,43)35-29(30)21-34(47-35)49(36,44)45)33(41)15-11-6-5-10-14-27-28(32(22-31(27)40)46-24(3)38)19-18-26(39)17-16-25-12-8-7-9-13-25;1-5-7-10-14-25(44-4)17-18-27-26(30(37)23-31(27)38)15-11-8-9-12-16-32(39)45-20-13-19-36-48(42,43)33-22-28-29(35-6-2)21-24(3)47(40,41)34(28)46-33;1-3-4-10-20(32)13-14-22-21(23(33)18-24(22)34)11-7-5-6-8-12-26(35)38-16-9-15-28-40(36,37)27-30-29-25(39-27)17-19(2)31/h8,11,20,24,28-30,32-34,38,42-43H,5-7,9-10,12-19,21-23,25-26H2,1-4H3;4,6-9,12-13,18-19,22,26-28,30-32,39-41H,3,5,10-11,14-17,20-21,23-24H2,1-2H3,(H2,36,43,44);5,7-10,12-13,18-19,21,23,26-28,30-32,39-40H,4,6,11,14-17,20,22H2,1-3H3,(H2,36,44,45);8,11,19,22,24-27,29-31,35,37-38H,5-7,9-10,12-18,20-21,23H2,1-4H3;5,7,15,20-24,32-34H,3-4,6,8-14,16-18H2,1-2H3/b11-8-,39-20?;9-4-,19-18+;10-5-,19-18+;11-8-,36-19?;7-5-,28-15?/t28-,29+,30+,32-,33+,34-;26-,27+,28+,30-,31-,32+;23-,26-,27+,28+,30-,31-,32+;24-,25-,26+,27+,29-,30-,31+;20-,21+,22+,23-,24+/m00000/s1.

What are the key properties of (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]hept-5-enamide;3-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]hept-5-enoate;3-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-methoxyoctyl]cyclopentyl]hept-5-enoate;[(1R,2R,3R,4S)-3-[(Z)-7-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-7-oxohept-2-enyl]-4-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl] acetate;3-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyheptyl]cyclopentyl]hept-5-enoate?

(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]hept-5-enamide;3-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]hept-5-enoate;3-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-methoxyoctyl]cyclopentyl]hept-5-enoate;[(1R,2R,3R,4S)-3-[(Z)-7-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-7-oxohept-2-enyl]-4-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl] acetate;3-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyheptyl]cyclopentyl]hept-5-enoate has a molecular weight of 3645.90 g/mol, XLogP of 21.37, 98 rotatable bonds, 16 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]hept-5-enamide;3-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]hept-5-enoate;3-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-methoxyoctyl]cyclopentyl]hept-5-enoate;[(1R,2R,3R,4S)-3-[(Z)-7-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-7-oxohept-2-enyl]-4-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl] acetate;3-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylimino]propyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyheptyl]cyclopentyl]hept-5-enoate is sourced from PubChem (CID 161211947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).