1-O-[(3E)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-inden-5-yl] 4-O-[(2S)-1-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-1-oxopropan-2-yl] butanedioate;[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 4-[ethyl-[(4R)-6-[[(2S)-2-hydroxypropanoyl]sulfamoyl]-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-yl]amino]-4-oxobutanoate;4-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]oxy]-4-oxobutanoic acid;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]-2-hydroxypropanamide

C146H196N24O40S9 — CID 159162123

About 1-O-[(3E)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-inden-5-yl] 4-O-[(2S)-1-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-1-oxopropan-2-yl] butanedioate;[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 4-[ethyl-[(4R)-6-[[(2S)-2-hydroxypropanoyl]sulfamoyl]-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-yl]amino]-4-oxobutanoate;4-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]oxy]-4-oxobutanoic acid;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]-2-hydroxypropanamide

1-O-[(3E)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-inden-5-yl] 4-O-[(2S)-1-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-1-oxopropan-2-yl] butanedioate;[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 4-[ethyl-[(4R)-6-[[(2S)-2-hydroxypropanoyl]sulfamoyl]-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-yl]amino]-4-oxobutanoate;4-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]oxy]-4-oxobutanoic acid;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]-2-hydroxypropanamide (PubChem CID 159162123) has the molecular formula C146H196N24O40S9 and a molecular weight of 3215.90 g/mol. Its IUPAC name is 1-O-[(3E)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-inden-5-yl] 4-O-[(2S)-1-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-1-oxopropan-2-yl] butanedioate;[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 4-[ethyl-[(4R)-6-[[(2S)-2-hydroxypropanoyl]sulfamoyl]-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-yl]amino]-4-oxobutanoate;4-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]oxy]-4-oxobutanoic acid;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]-2-hydroxypropanamide.

Molecular Properties

• Compound Name: 1-O-[(3E)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-inden-5-yl] 4-O-[(2S)-1-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-1-oxopropan-2-yl] butanedioate;[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 4-[ethyl-[(4R)-6-[[(2S)-2-hydroxypropanoyl]sulfamoyl]-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-yl]amino]-4-oxobutanoate;4-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]oxy]-4-oxobutanoic acid;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]-2-hydroxypropanamide
• PubChem CID: 159162123
• Molecular Formula: C146H196N24O40S9
• Molecular Weight: 3215.90 g/mol
• Exact Mass: 3213.15
• IUPAC Name: 1-O-[(3E)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-inden-5-yl] 4-O-[(2S)-1-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-1-oxopropan-2-yl] butanedioate;[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 4-[ethyl-[(4R)-6-[[(2S)-2-hydroxypropanoyl]sulfamoyl]-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-yl]amino]-4-oxobutanoate;4-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]oxy]-4-oxobutanoic acid;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]-2-hydroxypropanamide
• SMILES: CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(O)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(OC(=O)CCC(=O)N(CC)[C@H]4CN(CCCOC)S(=O)(=O)c5sc(S(=O)(=O)NC(=O)[C@H](C)O)cc54)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(OC(=O)CCC(=O)O)cc32)c1C.CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)[C@H](C)O)cc21.CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)[C@H](C)OC(=O)CCC(=O)Oc3ccc4c(c3)/C(=C\c3[nH]c(C)c(C(=O)NCCN(CC)CC)c3C)C(=O)C4)cc21
• InChI: InChI=1S/C42H56N6O12S3.C41H55N7O12S3.C26H32N4O6.C22H28N4O3.C15H25N3O7S3/c1-8-43-34-24-48(17-11-19-58-7)63(56,57)42-32(34)23-38(61-42)62(54,55)46-40(52)27(6)59-36(50)14-15-37(51)60-29-13-12-28-20-35(49)31(30(28)21-29)22-33-25(4)39(26(5)45-33)41(53)44-16-18-47(9-2)10-3;1-8-46(9-2)18-16-42-40(54)37-24(4)32(43-25(37)5)21-29-28-20-27(12-13-31(28)44-39(29)53)60-35(51)15-14-34(50)48(10-3)33-23-47(17-11-19-59-7)63(57,58)41-30(33)22-36(61-41)62(55,56)45-38(52)26(6)49;1-5-30(6-2)12-11-27-26(35)24-15(3)21(28-16(24)4)14-19-18-13-17(7-8-20(18)29-25(19)34)36-23(33)10-9-22(31)32;1-5-26(6-2)10-9-23-22(29)20-13(3)19(24-14(20)4)12-17-16-11-15(27)7-8-18(16)25-21(17)28;1-4-16-12-9-18(6-5-7-25-3)28(23,24)15-11(12)8-13(26-15)27(21,22)17-14(20)10(2)19/h12-13,21-23,27,34,43,45H,8-11,14-20,24H2,1-7H3,(H,44,53)(H,46,52);12-13,20-22,26,33,43,49H,8-11,14-19,23H2,1-7H3,(H,42,54)(H,44,53)(H,45,52);7-8,13-14,28H,5-6,9-12H2,1-4H3,(H,27,35)(H,29,34)(H,31,32);7-8,11-12,24,27H,5-6,9-10H2,1-4H3,(H,23,29)(H,25,28);8,10,12,16,19H,4-7,9H2,1-3H3,(H,17,20)/b31-22+;29-21-;19-14-;17-12-;/t27-,34-;26-,33-;;;10-,12-/m00..0/s1
• InChIKey: KKPQHHFQHBWSAW-IQVRHFCLSA-N
• XLogP: 11.50
• TPSA: 874.00 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 48
• Rotatable Bonds: 68
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3215.90
LogP ≤ 5	11.50
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-O-[(3E)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-inden-5-yl] 4-O-[(2S)-1-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-1-oxopropan-2-yl] butanedioate;[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 4-[ethyl-[(4R)-6-[[(2S)-2-hydroxypropanoyl]sulfamoyl]-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-yl]amino]-4-oxobutanoate;4-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]oxy]-4-oxobutanoic acid;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]-2-hydroxypropanamide?

The IUPAC name of 1-O-[(3E)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-inden-5-yl] 4-O-[(2S)-1-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-1-oxopropan-2-yl] butanedioate;[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 4-[ethyl-[(4R)-6-[[(2S)-2-hydroxypropanoyl]sulfamoyl]-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-yl]amino]-4-oxobutanoate;4-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]oxy]-4-oxobutanoic acid;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]-2-hydroxypropanamide (CID 159162123) is 1-O-[(3E)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-inden-5-yl] 4-O-[(2S)-1-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-1-oxopropan-2-yl] butanedioate;[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 4-[ethyl-[(4R)-6-[[(2S)-2-hydroxypropanoyl]sulfamoyl]-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-yl]amino]-4-oxobutanoate;4-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]oxy]-4-oxobutanoic acid;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]-2-hydroxypropanamide.

What is the SMILES notation for 1-O-[(3E)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-inden-5-yl] 4-O-[(2S)-1-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-1-oxopropan-2-yl] butanedioate;[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 4-[ethyl-[(4R)-6-[[(2S)-2-hydroxypropanoyl]sulfamoyl]-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-yl]amino]-4-oxobutanoate;4-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]oxy]-4-oxobutanoic acid;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]-2-hydroxypropanamide?

The canonical SMILES for 1-O-[(3E)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-inden-5-yl] 4-O-[(2S)-1-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-1-oxopropan-2-yl] butanedioate;[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 4-[ethyl-[(4R)-6-[[(2S)-2-hydroxypropanoyl]sulfamoyl]-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-yl]amino]-4-oxobutanoate;4-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]oxy]-4-oxobutanoic acid;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]-2-hydroxypropanamide is CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(O)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(OC(=O)CCC(=O)N(CC)[C@H]4CN(CCCOC)S(=O)(=O)c5sc(S(=O)(=O)NC(=O)[C@H](C)O)cc54)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(OC(=O)CCC(=O)O)cc32)c1C.CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)[C@H](C)O)cc21.CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)[C@H](C)OC(=O)CCC(=O)Oc3ccc4c(c3)/C(=C\c3[nH]c(C)c(C(=O)NCCN(CC)CC)c3C)C(=O)C4)cc21.

What is the InChIKey of 1-O-[(3E)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-inden-5-yl] 4-O-[(2S)-1-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-1-oxopropan-2-yl] butanedioate;[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 4-[ethyl-[(4R)-6-[[(2S)-2-hydroxypropanoyl]sulfamoyl]-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-yl]amino]-4-oxobutanoate;4-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]oxy]-4-oxobutanoic acid;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]-2-hydroxypropanamide?

The InChIKey is KKPQHHFQHBWSAW-IQVRHFCLSA-N. The full InChI is InChI=1S/C42H56N6O12S3.C41H55N7O12S3.C26H32N4O6.C22H28N4O3.C15H25N3O7S3/c1-8-43-34-24-48(17-11-19-58-7)63(56,57)42-32(34)23-38(61-42)62(54,55)46-40(52)27(6)59-36(50)14-15-37(51)60-29-13-12-28-20-35(49)31(30(28)21-29)22-33-25(4)39(26(5)45-33)41(53)44-16-18-47(9-2)10-3;1-8-46(9-2)18-16-42-40(54)37-24(4)32(43-25(37)5)21-29-28-20-27(12-13-31(28)44-39(29)53)60-35(51)15-14-34(50)48(10-3)33-23-47(17-11-19-59-7)63(57,58)41-30(33)22-36(61-41)62(55,56)45-38(52)26(6)49;1-5-30(6-2)12-11-27-26(35)24-15(3)21(28-16(24)4)14-19-18-13-17(7-8-20(18)29-25(19)34)36-23(33)10-9-22(31)32;1-5-26(6-2)10-9-23-22(29)20-13(3)19(24-14(20)4)12-17-16-11-15(27)7-8-18(16)25-21(17)28;1-4-16-12-9-18(6-5-7-25-3)28(23,24)15-11(12)8-13(26-15)27(21,22)17-14(20)10(2)19/h12-13,21-23,27,34,43,45H,8-11,14-20,24H2,1-7H3,(H,44,53)(H,46,52);12-13,20-22,26,33,43,49H,8-11,14-19,23H2,1-7H3,(H,42,54)(H,44,53)(H,45,52);7-8,13-14,28H,5-6,9-12H2,1-4H3,(H,27,35)(H,29,34)(H,31,32);7-8,11-12,24,27H,5-6,9-10H2,1-4H3,(H,23,29)(H,25,28);8,10,12,16,19H,4-7,9H2,1-3H3,(H,17,20)/b31-22+;29-21-;19-14-;17-12-;/t27-,34-;26-,33-;;;10-,12-/m00..0/s1.

What are the key properties of 1-O-[(3E)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-inden-5-yl] 4-O-[(2S)-1-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-1-oxopropan-2-yl] butanedioate;[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 4-[ethyl-[(4R)-6-[[(2S)-2-hydroxypropanoyl]sulfamoyl]-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-yl]amino]-4-oxobutanoate;4-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]oxy]-4-oxobutanoic acid;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]-2-hydroxypropanamide?

1-O-[(3E)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-inden-5-yl] 4-O-[(2S)-1-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-1-oxopropan-2-yl] butanedioate;[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 4-[ethyl-[(4R)-6-[[(2S)-2-hydroxypropanoyl]sulfamoyl]-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-yl]amino]-4-oxobutanoate;4-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]oxy]-4-oxobutanoic acid;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]-2-hydroxypropanamide has a molecular weight of 3215.90 g/mol, XLogP of 11.50, 68 rotatable bonds, 20 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 1-O-[(3E)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-inden-5-yl] 4-O-[(2S)-1-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-1-oxopropan-2-yl] butanedioate;[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 4-[ethyl-[(4R)-6-[[(2S)-2-hydroxypropanoyl]sulfamoyl]-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-yl]amino]-4-oxobutanoate;4-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]oxy]-4-oxobutanoic acid;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]-2-hydroxypropanamide is sourced from PubChem (CID 159162123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).