[(1S,4R,6S,7Z,18R)-14-cyclopropyl-4-(2-cyclopropylsulfonylacetyl)-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]isoindole-7-carboxylate;[(1S,4R,6S,7Z,18R)-14-methyl-2,15-dioxo-4-(2-propan-2-ylsulfonylacetyl)-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate

C166H209F2N15O41S5 — CID 162179974

IUPAC[(1S,4R,6S,7Z,18R)-14-cyclopropyl-4-(2-cyclopropylsulfonylacetyl)-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]isoindole-7-carboxylate;[(1S,4R,6S,7Z,18R)-14-methyl-2,15-dioxo-4-(2-propan-2-ylsulfonylacetyl)-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate
SMILESCC(C)S(=O)(=O)CC(=O)[C@]12CC(=O)[C@@H]3C[C@@H](OC(=O)N4Cc5cc6c(cc5C4)OCO6)CN3C(=O)N(C)CCCCC/C=C\[C@@H]1C2.CN1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)CS(=O)(=O)C2CC2)CC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cc5c(cc4C3)OCCO5)CN2C1=O.CN1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)CS(=O)(=O)C2CC2)CC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cc5c(cc4C3)OCO5)CN2C1=O.CN1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)CS(=O)(=O)C2CC2)CC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O.O=C1C[C@]2(C(=O)CS(=O)(=O)C3CC3)C[C@H]2/C=C\CCCCCN(C2CC2)C(=O)N2C[C@H](OC(=O)N3Cc4cccc(F)c4C3)C[C@@H]12
InChIInChI=1S/C34H42FN3O7S.C34H43N3O9S.C33H41N3O9S.C33H43N3O9S.C32H40FN3O7S/c35-28-9-6-7-22-18-36(20-27(22)28)33(42)45-25-15-29-30(39)17-34(31(40)21-46(43,44)26-12-13-26)16-23(34)8-4-2-1-3-5-14-37(24-10-11-24)32(41)38(29)19-25;1-35-10-6-4-2-3-5-7-24-16-34(24,31(39)21-47(42,43)26-8-9-26)17-28(38)27-15-25(20-37(27)32(35)40)46-33(41)36-18-22-13-29-30(14-23(22)19-36)45-12-11-44-29;1-34-10-6-4-2-3-5-7-23-14-33(23,30(38)19-46(41,42)25-8-9-25)15-27(37)26-13-24(18-36(26)31(34)39)45-32(40)35-16-21-11-28-29(44-20-43-28)12-22(21)17-35;1-21(2)46(41,42)19-30(38)33-14-24(33)9-7-5-4-6-8-10-34(3)31(39)36-18-25(13-26(36)27(37)15-33)45-32(40)35-16-22-11-28-29(44-20-43-28)12-23(22)17-35;1-34-13-6-4-2-3-5-9-22-15-32(22,29(38)20-44(41,42)24-11-12-24)16-28(37)27-14-23(18-36(27)30(34)39)43-31(40)35-17-21-8-7-10-26(33)25(21)19-35/h4,6-9,23-26,29H,1-3,5,10-21H2;5,7,13-14,24-27H,2-4,6,8-12,15-21H2,1H3;5,7,11-12,23-26H,2-4,6,8-10,13-20H2,1H3;7,9,11-12,21,24-26H,4-6,8,10,13-20H2,1-3H3;5,7-10,22-24,27H,2-4,6,11-20H2,1H3/b8-4-;2*7-5-;9-7-;9-5-/t23-,25-,29+,34-;24-,25-,27+,34-;23-,24-,26+,33-;24-,25-,26+,33-;22-,23-,27+,32-/m11111/s1
InChIKeyZOWUTFLIELDLQX-IMKQRBTFSA-N
MW3268.89 g/mol
LogP19.66
Rot. Bonds26

About [(1S,4R,6S,7Z,18R)-14-cyclopropyl-4-(2-cyclopropylsulfonylacetyl)-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]isoindole-7-carboxylate;[(1S,4R,6S,7Z,18R)-14-methyl-2,15-dioxo-4-(2-propan-2-ylsulfonylacetyl)-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate

[(1S,4R,6S,7Z,18R)-14-cyclopropyl-4-(2-cyclopropylsulfonylacetyl)-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]isoindole-7-carboxylate;[(1S,4R,6S,7Z,18R)-14-methyl-2,15-dioxo-4-(2-propan-2-ylsulfonylacetyl)-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate (PubChem CID 162179974) has the molecular formula C166H209F2N15O41S5 and a molecular weight of 3268.89 g/mol. Its IUPAC name is [(1S,4R,6S,7Z,18R)-14-cyclopropyl-4-(2-cyclopropylsulfonylacetyl)-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]isoindole-7-carboxylate;[(1S,4R,6S,7Z,18R)-14-methyl-2,15-dioxo-4-(2-propan-2-ylsulfonylacetyl)-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate.

Molecular Properties

Compound Name[(1S,4R,6S,7Z,18R)-14-cyclopropyl-4-(2-cyclopropylsulfonylacetyl)-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]isoindole-7-carboxylate;[(1S,4R,6S,7Z,18R)-14-methyl-2,15-dioxo-4-(2-propan-2-ylsulfonylacetyl)-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate
PubChem CID162179974
Molecular FormulaC166H209F2N15O41S5
Molecular Weight3268.89 g/mol
Exact Mass3266.33
IUPAC Name[(1S,4R,6S,7Z,18R)-14-cyclopropyl-4-(2-cyclopropylsulfonylacetyl)-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]isoindole-7-carboxylate;[(1S,4R,6S,7Z,18R)-14-methyl-2,15-dioxo-4-(2-propan-2-ylsulfonylacetyl)-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate
SMILESCC(C)S(=O)(=O)CC(=O)[C@]12CC(=O)[C@@H]3C[C@@H](OC(=O)N4Cc5cc6c(cc5C4)OCO6)CN3C(=O)N(C)CCCCC/C=C\[C@@H]1C2.CN1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)CS(=O)(=O)C2CC2)CC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cc5c(cc4C3)OCCO5)CN2C1=O.CN1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)CS(=O)(=O)C2CC2)CC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cc5c(cc4C3)OCO5)CN2C1=O.CN1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)CS(=O)(=O)C2CC2)CC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O.O=C1C[C@]2(C(=O)CS(=O)(=O)C3CC3)C[C@H]2/C=C\CCCCCN(C2CC2)C(=O)N2C[C@H](OC(=O)N3Cc4cccc(F)c4C3)C[C@@H]12
InChIInChI=1S/C34H42FN3O7S.C34H43N3O9S.C33H41N3O9S.C33H43N3O9S.C32H40FN3O7S/c35-28-9-6-7-22-18-36(20-27(22)28)33(42)45-25-15-29-30(39)17-34(31(40)21-46(43,44)26-12-13-26)16-23(34)8-4-2-1-3-5-14-37(24-10-11-24)32(41)38(29)19-25;1-35-10-6-4-2-3-5-7-24-16-34(24,31(39)21-47(42,43)26-8-9-26)17-28(38)27-15-25(20-37(27)32(35)40)46-33(41)36-18-22-13-29-30(14-23(22)19-36)45-12-11-44-29;1-34-10-6-4-2-3-5-7-23-14-33(23,30(38)19-46(41,42)25-8-9-25)15-27(37)26-13-24(18-36(26)31(34)39)45-32(40)35-16-21-11-28-29(44-20-43-28)12-22(21)17-35;1-21(2)46(41,42)19-30(38)33-14-24(33)9-7-5-4-6-8-10-34(3)31(39)36-18-25(13-26(36)27(37)15-33)45-32(40)35-16-22-11-28-29(44-20-43-28)12-23(22)17-35;1-34-13-6-4-2-3-5-9-22-15-32(22,29(38)20-44(41,42)24-11-12-24)16-28(37)27-14-23(18-36(27)30(34)39)43-31(40)35-17-21-8-7-10-26(33)25(21)19-35/h4,6-9,23-26,29H,1-3,5,10-21H2;5,7,13-14,24-27H,2-4,6,8-12,15-21H2,1H3;5,7,11-12,23-26H,2-4,6,8-10,13-20H2,1H3;7,9,11-12,21,24-26H,4-6,8,10,13-20H2,1-3H3;5,7-10,22-24,27H,2-4,6,11-20H2,1H3/b8-4-;2*7-5-;9-7-;9-5-/t23-,25-,29+,34-;24-,25-,27+,34-;23-,24-,26+,33-;24-,25-,26+,33-;22-,23-,27+,32-/m11111/s1
InChIKeyZOWUTFLIELDLQX-IMKQRBTFSA-N
XLogP19.66
TPSA662.23 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds26
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003268.89
LogP ≤ 519.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze [(1S,4R,6S,7Z,18R)-14-cyclopropyl-4-(2-cyclopropylsulfonylacetyl)-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]isoindole-7-carboxylate;[(1S,4R,6S,7Z,18R)-14-methyl-2,15-dioxo-4-(2-propan-2-ylsulfonylacetyl)-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate 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

[(1S,4R,6S,7Z,18R)-14-methyl-2,15-dioxo-4-(2-propan-2-ylsulfonylacetyl)-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate
CID 58364383
[(1R,4R,6S,7Z,17R)-13-cyclopropyl-4-(2-cyclopropylsulfonylacetyl)-2,14-dioxo-13-azatricyclo[13.3.0.04,6]octadec-7-en-17-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate
CID 58364428
[(1S,4R,6S,7Z,14S,18R)-4-(2-cyclopropylsulfonylacetyl)-14-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate;[(1S,4R,6S,7Z,14S,18R)-4-(2-cyclopropylsulfonylacetyl)-14-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,14S,18R)-4-(2-cyclopropylsulfonylacetyl)-14-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]isoindole-7-carboxylate;[(1S,4R,6S,7Z,14S,18R)-4-(2-cyclopropylsulfonylacetyl)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 3,4,8,10-tetrahydro-2H-[1,4]dioxepino[2,3-e]isoindole-9-carboxylate
CID 162044314
[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-14-(dimethylamino)-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate
CID 148958557
[(1S,4R,6S,7Z,14R,18R)-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-14-[2-[2-(trifluoromethyl)phenyl]ethyl]-16-azatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate
CID 147145470
[(1S,4R,6S,7Z,14S,18R)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-4-(2-piperidin-1-ylethylcarbamoyl)-16-azatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate
CID 149102498
[(1S,4R,6S,7Z,14S,18R)-14-amino-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;methanol
CID 123734483
[(1S,4R,6S,7Z,14S,18R)-4-(dimethylsulfamoylcarbamoyl)-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;(1S,4R,6S,7Z,14S,18R)-18-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;[methyl(sulfamoyl)amino]methane
CID 160774592
ethyl (1S,4R,6S,7Z,14S,18R)-14-(3-fluoroanilino)-18-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
CID 58177126
3-[[[(1S,4R,6S,7Z,14S,18R)-18-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carbonyl]amino]methyl]benzoic acid
CID 158237896
[(1S,4R,6R,7Z,14R,18R)-14-[(3-methoxyphenyl)methyl]-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate
CID 58176702
[(1S,4R,6R,7Z,14R,18R)-14-[(3-carbamoylphenyl)methyl]-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate
CID 58177084

Frequently Asked Questions

What is the IUPAC name of [(1S,4R,6S,7Z,18R)-14-cyclopropyl-4-(2-cyclopropylsulfonylacetyl)-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]isoindole-7-carboxylate;[(1S,4R,6S,7Z,18R)-14-methyl-2,15-dioxo-4-(2-propan-2-ylsulfonylacetyl)-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate?
The IUPAC name of [(1S,4R,6S,7Z,18R)-14-cyclopropyl-4-(2-cyclopropylsulfonylacetyl)-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]isoindole-7-carboxylate;[(1S,4R,6S,7Z,18R)-14-methyl-2,15-dioxo-4-(2-propan-2-ylsulfonylacetyl)-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate (CID 162179974) is [(1S,4R,6S,7Z,18R)-14-cyclopropyl-4-(2-cyclopropylsulfonylacetyl)-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]isoindole-7-carboxylate;[(1S,4R,6S,7Z,18R)-14-methyl-2,15-dioxo-4-(2-propan-2-ylsulfonylacetyl)-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate.
What is the SMILES notation for [(1S,4R,6S,7Z,18R)-14-cyclopropyl-4-(2-cyclopropylsulfonylacetyl)-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]isoindole-7-carboxylate;[(1S,4R,6S,7Z,18R)-14-methyl-2,15-dioxo-4-(2-propan-2-ylsulfonylacetyl)-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate?
The canonical SMILES for [(1S,4R,6S,7Z,18R)-14-cyclopropyl-4-(2-cyclopropylsulfonylacetyl)-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]isoindole-7-carboxylate;[(1S,4R,6S,7Z,18R)-14-methyl-2,15-dioxo-4-(2-propan-2-ylsulfonylacetyl)-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate is CC(C)S(=O)(=O)CC(=O)[C@]12CC(=O)[C@@H]3C[C@@H](OC(=O)N4Cc5cc6c(cc5C4)OCO6)CN3C(=O)N(C)CCCCC/C=C\[C@@H]1C2.CN1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)CS(=O)(=O)C2CC2)CC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cc5c(cc4C3)OCCO5)CN2C1=O.CN1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)CS(=O)(=O)C2CC2)CC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cc5c(cc4C3)OCO5)CN2C1=O.CN1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)CS(=O)(=O)C2CC2)CC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O.O=C1C[C@]2(C(=O)CS(=O)(=O)C3CC3)C[C@H]2/C=C\CCCCCN(C2CC2)C(=O)N2C[C@H](OC(=O)N3Cc4cccc(F)c4C3)C[C@@H]12.
What is the InChIKey of [(1S,4R,6S,7Z,18R)-14-cyclopropyl-4-(2-cyclopropylsulfonylacetyl)-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]isoindole-7-carboxylate;[(1S,4R,6S,7Z,18R)-14-methyl-2,15-dioxo-4-(2-propan-2-ylsulfonylacetyl)-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate?
The InChIKey is ZOWUTFLIELDLQX-IMKQRBTFSA-N. The full InChI is InChI=1S/C34H42FN3O7S.C34H43N3O9S.C33H41N3O9S.C33H43N3O9S.C32H40FN3O7S/c35-28-9-6-7-22-18-36(20-27(22)28)33(42)45-25-15-29-30(39)17-34(31(40)21-46(43,44)26-12-13-26)16-23(34)8-4-2-1-3-5-14-37(24-10-11-24)32(41)38(29)19-25;1-35-10-6-4-2-3-5-7-24-16-34(24,31(39)21-47(42,43)26-8-9-26)17-28(38)27-15-25(20-37(27)32(35)40)46-33(41)36-18-22-13-29-30(14-23(22)19-36)45-12-11-44-29;1-34-10-6-4-2-3-5-7-23-14-33(23,30(38)19-46(41,42)25-8-9-25)15-27(37)26-13-24(18-36(26)31(34)39)45-32(40)35-16-21-11-28-29(44-20-43-28)12-22(21)17-35;1-21(2)46(41,42)19-30(38)33-14-24(33)9-7-5-4-6-8-10-34(3)31(39)36-18-25(13-26(36)27(37)15-33)45-32(40)35-16-22-11-28-29(44-20-43-28)12-23(22)17-35;1-34-13-6-4-2-3-5-9-22-15-32(22,29(38)20-44(41,42)24-11-12-24)16-28(37)27-14-23(18-36(27)30(34)39)43-31(40)35-17-21-8-7-10-26(33)25(21)19-35/h4,6-9,23-26,29H,1-3,5,10-21H2;5,7,13-14,24-27H,2-4,6,8-12,15-21H2,1H3;5,7,11-12,23-26H,2-4,6,8-10,13-20H2,1H3;7,9,11-12,21,24-26H,4-6,8,10,13-20H2,1-3H3;5,7-10,22-24,27H,2-4,6,11-20H2,1H3/b8-4-;2*7-5-;9-7-;9-5-/t23-,25-,29+,34-;24-,25-,27+,34-;23-,24-,26+,33-;24-,25-,26+,33-;22-,23-,27+,32-/m11111/s1.
What are the key properties of [(1S,4R,6S,7Z,18R)-14-cyclopropyl-4-(2-cyclopropylsulfonylacetyl)-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]isoindole-7-carboxylate;[(1S,4R,6S,7Z,18R)-14-methyl-2,15-dioxo-4-(2-propan-2-ylsulfonylacetyl)-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate?
[(1S,4R,6S,7Z,18R)-14-cyclopropyl-4-(2-cyclopropylsulfonylacetyl)-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]isoindole-7-carboxylate;[(1S,4R,6S,7Z,18R)-14-methyl-2,15-dioxo-4-(2-propan-2-ylsulfonylacetyl)-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate has a molecular weight of 3268.89 g/mol, XLogP of 19.66, 26 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R,6S,7Z,18R)-14-cyclopropyl-4-(2-cyclopropylsulfonylacetyl)-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(1S,4R,6S,7Z,18R)-4-(2-cyclopropylsulfonylacetyl)-14-methyl-2,15-dioxo-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]isoindole-7-carboxylate;[(1S,4R,6S,7Z,18R)-14-methyl-2,15-dioxo-4-(2-propan-2-ylsulfonylacetyl)-14,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate is sourced from PubChem (CID 162179974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).