(1S,4R,6S,7Z,14S,18R,19S)-14-amino-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19S)-18-[4-(4-cyclohexyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate

C136H180N14O24S6 — CID 158010988

IUPAC(1S,4R,6S,7Z,14S,18R,19S)-14-amino-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19S)-18-[4-(4-cyclohexyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate
SMILESCC(C)n1c(O[C@H]2CN3C(=O)[C@@H](CC(=O)OC(C)(C)C)CCCCC/C=C\[C@@H]4C[C@@]4(C(=O)NS(=O)(=O)C4(C)CC4)CC(=O)[C@@H]3[C@@H]2C)nc2c(-c3nc(C4CCCCC4)cs3)cccc21.COc1ccc2c(O[C@H]3CN4C(=O)[C@@H](CC(=O)OC(C)(C)C)CCCCC/C=C\[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5(C)CC5)CC(=O)[C@@H]4[C@H]3C)cc(-c3nc(C(C)C)cs3)nc2c1C.COc1ccc2c(O[C@H]3CN4C(=O)[C@@H](N)CCCCC/C=C\[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5CC5)CC(=O)[C@@H]4[C@@H]3C)cc(-c3nc(C(C)C)cs3)nc2c1C
InChIInChI=1S/C49H67N5O8S2.C47H62N4O9S2.C40H51N5O7S2/c1-30(2)54-37-22-16-21-35(43-50-36(29-63-43)32-17-13-11-14-18-32)41(37)51-46(54)61-39-28-53-42(31(39)3)38(55)27-49(45(58)52-64(59,60)48(7)23-24-48)26-34(49)20-15-10-8-9-12-19-33(44(53)57)25-40(56)62-47(4,5)6;1-27(2)34-26-61-42(49-34)33-22-37(32-17-18-36(58-9)28(3)40(32)48-33)59-38-25-51-41(29(38)4)35(52)24-47(44(55)50-62(56,57)46(8)19-20-46)23-31(47)16-14-12-10-11-13-15-30(43(51)54)21-39(53)60-45(5,6)7;1-22(2)30-21-53-37(43-30)29-17-33(27-15-16-32(51-5)23(3)35(27)42-29)52-34-20-45-36(24(34)4)31(46)19-40(39(48)44-54(49,50)26-13-14-26)18-25(40)11-9-7-6-8-10-12-28(41)38(45)47/h15-16,20-22,29-34,39,42H,8-14,17-19,23-28H2,1-7H3,(H,52,58);14,16-18,22,26-27,29-31,38,41H,10-13,15,19-21,23-25H2,1-9H3,(H,50,55);9,11,15-17,21-22,24-26,28,34,36H,6-8,10,12-14,18-20,41H2,1-5H3,(H,44,48)/b20-15-;16-14-;11-9-/t31-,33-,34-,39+,42+,49-;29-,30+,31+,38-,41-,47+;24-,25-,28+,34+,36+,40-/m101/s1
InChIKeyFEWNMGWIHMLBKV-WEAWTQJCSA-N
MW2587.41 g/mol
LogP23.25
Rot. Bonds28

About (1S,4R,6S,7Z,14S,18R,19S)-14-amino-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19S)-18-[4-(4-cyclohexyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate

(1S,4R,6S,7Z,14S,18R,19S)-14-amino-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19S)-18-[4-(4-cyclohexyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate (PubChem CID 158010988) has the molecular formula C136H180N14O24S6 and a molecular weight of 2587.41 g/mol. Its IUPAC name is (1S,4R,6S,7Z,14S,18R,19S)-14-amino-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19S)-18-[4-(4-cyclohexyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate.

Molecular Properties

Compound Name(1S,4R,6S,7Z,14S,18R,19S)-14-amino-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19S)-18-[4-(4-cyclohexyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate
PubChem CID158010988
Molecular FormulaC136H180N14O24S6
Molecular Weight2587.41 g/mol
Exact Mass2585.16
IUPAC Name(1S,4R,6S,7Z,14S,18R,19S)-14-amino-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19S)-18-[4-(4-cyclohexyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate
SMILESCC(C)n1c(O[C@H]2CN3C(=O)[C@@H](CC(=O)OC(C)(C)C)CCCCC/C=C\[C@@H]4C[C@@]4(C(=O)NS(=O)(=O)C4(C)CC4)CC(=O)[C@@H]3[C@@H]2C)nc2c(-c3nc(C4CCCCC4)cs3)cccc21.COc1ccc2c(O[C@H]3CN4C(=O)[C@@H](CC(=O)OC(C)(C)C)CCCCC/C=C\[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5(C)CC5)CC(=O)[C@@H]4[C@H]3C)cc(-c3nc(C(C)C)cs3)nc2c1C.COc1ccc2c(O[C@H]3CN4C(=O)[C@@H](N)CCCCC/C=C\[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5CC5)CC(=O)[C@@H]4[C@@H]3C)cc(-c3nc(C(C)C)cs3)nc2c1C
InChIInChI=1S/C49H67N5O8S2.C47H62N4O9S2.C40H51N5O7S2/c1-30(2)54-37-22-16-21-35(43-50-36(29-63-43)32-17-13-11-14-18-32)41(37)51-46(54)61-39-28-53-42(31(39)3)38(55)27-49(45(58)52-64(59,60)48(7)23-24-48)26-34(49)20-15-10-8-9-12-19-33(44(53)57)25-40(56)62-47(4,5)6;1-27(2)34-26-61-42(49-34)33-22-37(32-17-18-36(58-9)28(3)40(32)48-33)59-38-25-51-41(29(38)4)35(52)24-47(44(55)50-62(56,57)46(8)19-20-46)23-31(47)16-14-12-10-11-13-15-30(43(51)54)21-39(53)60-45(5,6)7;1-22(2)30-21-53-37(43-30)29-17-33(27-15-16-32(51-5)23(3)35(27)42-29)52-34-20-45-36(24(34)4)31(46)19-40(39(48)44-54(49,50)26-13-14-26)18-25(40)11-9-7-6-8-10-12-28(41)38(45)47/h15-16,20-22,29-34,39,42H,8-14,17-19,23-28H2,1-7H3,(H,52,58);14,16-18,22,26-27,29-31,38,41H,10-13,15,19-21,23-25H2,1-9H3,(H,50,55);9,11,15-17,21-22,24-26,28,34,36H,6-8,10,12-14,18-20,41H2,1-5H3,(H,44,48)/b20-15-;16-14-;11-9-/t31-,33-,34-,39+,42+,49-;29-,30+,31+,38-,41-,47+;24-,25-,28+,34+,36+,40-/m101/s1
InChIKeyFEWNMGWIHMLBKV-WEAWTQJCSA-N
XLogP23.25
TPSA508.90 Ų
H-Bond Donors4
H-Bond Acceptors35
Rotatable Bonds28
Heavy Atoms180
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002587.41
LogP ≤ 523.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,4R,6S,7Z,14S,18R,19S)-14-amino-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19S)-18-[4-(4-cyclohexyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (1S,4R,6S,7Z,14S,18R,19S)-14-amino-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19S)-18-[4-(4-cyclohexyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate?
The IUPAC name of (1S,4R,6S,7Z,14S,18R,19S)-14-amino-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19S)-18-[4-(4-cyclohexyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate (CID 158010988) is (1S,4R,6S,7Z,14S,18R,19S)-14-amino-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19S)-18-[4-(4-cyclohexyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate.
What is the SMILES notation for (1S,4R,6S,7Z,14S,18R,19S)-14-amino-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19S)-18-[4-(4-cyclohexyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate?
The canonical SMILES for (1S,4R,6S,7Z,14S,18R,19S)-14-amino-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19S)-18-[4-(4-cyclohexyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate is CC(C)n1c(O[C@H]2CN3C(=O)[C@@H](CC(=O)OC(C)(C)C)CCCCC/C=C\[C@@H]4C[C@@]4(C(=O)NS(=O)(=O)C4(C)CC4)CC(=O)[C@@H]3[C@@H]2C)nc2c(-c3nc(C4CCCCC4)cs3)cccc21.COc1ccc2c(O[C@H]3CN4C(=O)[C@@H](CC(=O)OC(C)(C)C)CCCCC/C=C\[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5(C)CC5)CC(=O)[C@@H]4[C@H]3C)cc(-c3nc(C(C)C)cs3)nc2c1C.COc1ccc2c(O[C@H]3CN4C(=O)[C@@H](N)CCCCC/C=C\[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5CC5)CC(=O)[C@@H]4[C@@H]3C)cc(-c3nc(C(C)C)cs3)nc2c1C.
What is the InChIKey of (1S,4R,6S,7Z,14S,18R,19S)-14-amino-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19S)-18-[4-(4-cyclohexyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate?
The InChIKey is FEWNMGWIHMLBKV-WEAWTQJCSA-N. The full InChI is InChI=1S/C49H67N5O8S2.C47H62N4O9S2.C40H51N5O7S2/c1-30(2)54-37-22-16-21-35(43-50-36(29-63-43)32-17-13-11-14-18-32)41(37)51-46(54)61-39-28-53-42(31(39)3)38(55)27-49(45(58)52-64(59,60)48(7)23-24-48)26-34(49)20-15-10-8-9-12-19-33(44(53)57)25-40(56)62-47(4,5)6;1-27(2)34-26-61-42(49-34)33-22-37(32-17-18-36(58-9)28(3)40(32)48-33)59-38-25-51-41(29(38)4)35(52)24-47(44(55)50-62(56,57)46(8)19-20-46)23-31(47)16-14-12-10-11-13-15-30(43(51)54)21-39(53)60-45(5,6)7;1-22(2)30-21-53-37(43-30)29-17-33(27-15-16-32(51-5)23(3)35(27)42-29)52-34-20-45-36(24(34)4)31(46)19-40(39(48)44-54(49,50)26-13-14-26)18-25(40)11-9-7-6-8-10-12-28(41)38(45)47/h15-16,20-22,29-34,39,42H,8-14,17-19,23-28H2,1-7H3,(H,52,58);14,16-18,22,26-27,29-31,38,41H,10-13,15,19-21,23-25H2,1-9H3,(H,50,55);9,11,15-17,21-22,24-26,28,34,36H,6-8,10,12-14,18-20,41H2,1-5H3,(H,44,48)/b20-15-;16-14-;11-9-/t31-,33-,34-,39+,42+,49-;29-,30+,31+,38-,41-,47+;24-,25-,28+,34+,36+,40-/m101/s1.
What are the key properties of (1S,4R,6S,7Z,14S,18R,19S)-14-amino-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19S)-18-[4-(4-cyclohexyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate?
(1S,4R,6S,7Z,14S,18R,19S)-14-amino-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19S)-18-[4-(4-cyclohexyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate has a molecular weight of 2587.41 g/mol, XLogP of 23.25, 28 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,6S,7Z,14S,18R,19S)-14-amino-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19S)-18-[4-(4-cyclohexyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R,19R)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-19-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate is sourced from PubChem (CID 158010988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).