(E)-3-[2-[5-[5-[bis(prop-2-enyl)carbamoyloxy]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-chlorophenyl]sulfinamoyloxy-4-(2-methylbutan-2-yl)phenoxy]but-2-enoic acid;3-[4-tert-butyl-2-[5-[5-chloro-7-(4-cyclohexyl-2,6-dimethylcyclohexyl)oxycarbonyl-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-methylanilino]phenoxy]butanoic acid;2-[[4-[6-isocyano-5-(morpholine-4-carbonyloxy)-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]phenyl]sulfonylamino]-6-methylbenzoic acid;bis(sulfur dioxide);(2,4,6-trimethylcyclohexyl) 2-[3-[2-(1-acetamido-1-oxopropan-2-yl)oxy-5-tert-butylanilino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate

C159H187Cl2N23O33S4 — CID 54285581

About (E)-3-[2-[5-[5-[bis(prop-2-enyl)carbamoyloxy]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-chlorophenyl]sulfinamoyloxy-4-(2-methylbutan-2-yl)phenoxy]but-2-enoic acid;3-[4-tert-butyl-2-[5-[5-chloro-7-(4-cyclohexyl-2,6-dimethylcyclohexyl)oxycarbonyl-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-methylanilino]phenoxy]butanoic acid;2-[[4-[6-isocyano-5-(morpholine-4-carbonyloxy)-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]phenyl]sulfonylamino]-6-methylbenzoic acid;bis(sulfur dioxide);(2,4,6-trimethylcyclohexyl) 2-[3-[2-(1-acetamido-1-oxopropan-2-yl)oxy-5-tert-butylanilino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate

(E)-3-[2-[5-[5-[bis(prop-2-enyl)carbamoyloxy]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-chlorophenyl]sulfinamoyloxy-4-(2-methylbutan-2-yl)phenoxy]but-2-enoic acid;3-[4-tert-butyl-2-[5-[5-chloro-7-(4-cyclohexyl-2,6-dimethylcyclohexyl)oxycarbonyl-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-methylanilino]phenoxy]butanoic acid;2-[[4-[6-isocyano-5-(morpholine-4-carbonyloxy)-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]phenyl]sulfonylamino]-6-methylbenzoic acid;bis(sulfur dioxide);(2,4,6-trimethylcyclohexyl) 2-[3-[2-(1-acetamido-1-oxopropan-2-yl)oxy-5-tert-butylanilino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate (PubChem CID 54285581) has the molecular formula C159H187Cl2N23O33S4 and a molecular weight of 3147.55 g/mol. Its IUPAC name is (E)-3-[2-[5-[5-[bis(prop-2-enyl)carbamoyloxy]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-chlorophenyl]sulfinamoyloxy-4-(2-methylbutan-2-yl)phenoxy]but-2-enoic acid;3-[4-tert-butyl-2-[5-[5-chloro-7-(4-cyclohexyl-2,6-dimethylcyclohexyl)oxycarbonyl-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-methylanilino]phenoxy]butanoic acid;2-[[4-[6-isocyano-5-(morpholine-4-carbonyloxy)-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]phenyl]sulfonylamino]-6-methylbenzoic acid;bis(sulfur dioxide);(2,4,6-trimethylcyclohexyl) 2-[3-[2-(1-acetamido-1-oxopropan-2-yl)oxy-5-tert-butylanilino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate.

Molecular Properties

• Compound Name: (E)-3-[2-[5-[5-[bis(prop-2-enyl)carbamoyloxy]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-chlorophenyl]sulfinamoyloxy-4-(2-methylbutan-2-yl)phenoxy]but-2-enoic acid;3-[4-tert-butyl-2-[5-[5-chloro-7-(4-cyclohexyl-2,6-dimethylcyclohexyl)oxycarbonyl-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-methylanilino]phenoxy]butanoic acid;2-[[4-[6-isocyano-5-(morpholine-4-carbonyloxy)-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]phenyl]sulfonylamino]-6-methylbenzoic acid;bis(sulfur dioxide);(2,4,6-trimethylcyclohexyl) 2-[3-[2-(1-acetamido-1-oxopropan-2-yl)oxy-5-tert-butylanilino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate
• PubChem CID: 54285581
• Molecular Formula: C159H187Cl2N23O33S4
• Molecular Weight: 3147.55 g/mol
• Exact Mass: 3144.19
• IUPAC Name: (E)-3-[2-[5-[5-[bis(prop-2-enyl)carbamoyloxy]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-chlorophenyl]sulfinamoyloxy-4-(2-methylbutan-2-yl)phenoxy]but-2-enoic acid;3-[4-tert-butyl-2-[5-[5-chloro-7-(4-cyclohexyl-2,6-dimethylcyclohexyl)oxycarbonyl-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-methylanilino]phenoxy]butanoic acid;2-[[4-[6-isocyano-5-(morpholine-4-carbonyloxy)-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]phenyl]sulfonylamino]-6-methylbenzoic acid;bis(sulfur dioxide);(2,4,6-trimethylcyclohexyl) 2-[3-[2-(1-acetamido-1-oxopropan-2-yl)oxy-5-tert-butylanilino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate
• SMILES: O=S=O.O=S=O.[C-]#[N+]c1c(C(=O)OC2C(C)CC(C)CC2C)c2nc(-c3ccc(Cl)c(NS(=O)Oc4cc(C(C)(C)CC)ccc4O/C(C)=C/C(=O)O)c3)[nH]n2c1OC(=O)N(CC=C)CC=C.[C-]#[N+]c1c(C(=O)OC2C(C)CC(C)CC2C)c2nc(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C(=O)O)cc3)[nH]n2c1OC(=O)N1CCOCC1.[C-]#[N+]c1c(C(=O)OC2C(C)CC(C3CCCCC3)CC2C)c2nc(-c3ccc(C)c(Nc4cc(C(C)(C)C)ccc4OC(C)CC(=O)O)c3)[nH]n2c1Cl.[C-]#[N+]c1cn2[nH]c(-c3ccc(OC)c(Nc4cc(C(C)(C)C)ccc4OC(C)C(=O)NC(C)=O)c3)nc2c1C(=O)OC1C(C)CC(C)CC1C
• InChI: InChI=1S/C44H51ClN6O9S.C42H52ClN5O5.C38H46N6O6.C35H38N6O9S.2O2S/c1-11-18-50(19-12-2)43(55)59-41-37(46-10)36(42(54)58-38-26(5)20-25(4)21-27(38)6)40-47-39(48-51(40)41)29-14-16-31(45)32(23-29)49-61(56)60-34-24-30(44(8,9)13-3)15-17-33(34)57-28(7)22-35(52)53;1-23-14-15-28(21-31(23)45-32-22-30(42(5,6)7)16-17-33(32)52-26(4)20-34(49)50)39-46-40-35(36(44-8)38(43)48(40)47-39)41(51)53-37-24(2)18-29(19-25(37)3)27-12-10-9-11-13-27;1-20-15-21(2)33(22(3)16-20)50-37(47)32-29(39-9)19-44-35(32)42-34(43-44)25-11-13-30(48-10)27(17-25)41-28-18-26(38(6,7)8)12-14-31(28)49-23(4)36(46)40-24(5)45;1-19-17-21(3)29(22(4)18-19)49-34(44)27-28(36-5)32(50-35(45)40-13-15-48-16-14-40)41-31(27)37-30(38-41)23-9-11-24(12-10-23)51(46,47)39-25-8-6-7-20(2)26(25)33(42)43;2*1-3-2/h11-12,14-17,22-27,38,49H,1-2,13,18-21H2,3-9H3,(H,47,48)(H,52,53);14-17,21-22,24-27,29,37,45H,9-13,18-20H2,1-7H3,(H,46,47)(H,49,50);11-14,17-23,33,41H,15-16H2,1-8,10H3,(H,42,43)(H,40,45,46);6-12,19,21-22,29,39H,13-18H2,1-4H3,(H,37,38)(H,42,43);;/b28-22+
• InChIKey: RTVXFMMYKCQTND-VUNQSRJOSA-N
• XLogP: 32.96
• TPSA: 695.14 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 40
• Rotatable Bonds: 44
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3147.55
LogP ≤ 5	32.96
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[5-[5-[bis(prop-2-enyl)carbamoyloxy]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-chlorophenyl]sulfinamoyloxy-4-(2-methylbutan-2-yl)phenoxy]but-2-enoic acid;3-[4-tert-butyl-2-[5-[5-chloro-7-(4-cyclohexyl-2,6-dimethylcyclohexyl)oxycarbonyl-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-methylanilino]phenoxy]butanoic acid;2-[[4-[6-isocyano-5-(morpholine-4-carbonyloxy)-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]phenyl]sulfonylamino]-6-methylbenzoic acid;bis(sulfur dioxide);(2,4,6-trimethylcyclohexyl) 2-[3-[2-(1-acetamido-1-oxopropan-2-yl)oxy-5-tert-butylanilino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate?

The IUPAC name of (E)-3-[2-[5-[5-[bis(prop-2-enyl)carbamoyloxy]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-chlorophenyl]sulfinamoyloxy-4-(2-methylbutan-2-yl)phenoxy]but-2-enoic acid;3-[4-tert-butyl-2-[5-[5-chloro-7-(4-cyclohexyl-2,6-dimethylcyclohexyl)oxycarbonyl-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-methylanilino]phenoxy]butanoic acid;2-[[4-[6-isocyano-5-(morpholine-4-carbonyloxy)-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]phenyl]sulfonylamino]-6-methylbenzoic acid;bis(sulfur dioxide);(2,4,6-trimethylcyclohexyl) 2-[3-[2-(1-acetamido-1-oxopropan-2-yl)oxy-5-tert-butylanilino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate (CID 54285581) is (E)-3-[2-[5-[5-[bis(prop-2-enyl)carbamoyloxy]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-chlorophenyl]sulfinamoyloxy-4-(2-methylbutan-2-yl)phenoxy]but-2-enoic acid;3-[4-tert-butyl-2-[5-[5-chloro-7-(4-cyclohexyl-2,6-dimethylcyclohexyl)oxycarbonyl-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-methylanilino]phenoxy]butanoic acid;2-[[4-[6-isocyano-5-(morpholine-4-carbonyloxy)-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]phenyl]sulfonylamino]-6-methylbenzoic acid;bis(sulfur dioxide);(2,4,6-trimethylcyclohexyl) 2-[3-[2-(1-acetamido-1-oxopropan-2-yl)oxy-5-tert-butylanilino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate.

What is the SMILES notation for (E)-3-[2-[5-[5-[bis(prop-2-enyl)carbamoyloxy]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-chlorophenyl]sulfinamoyloxy-4-(2-methylbutan-2-yl)phenoxy]but-2-enoic acid;3-[4-tert-butyl-2-[5-[5-chloro-7-(4-cyclohexyl-2,6-dimethylcyclohexyl)oxycarbonyl-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-methylanilino]phenoxy]butanoic acid;2-[[4-[6-isocyano-5-(morpholine-4-carbonyloxy)-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]phenyl]sulfonylamino]-6-methylbenzoic acid;bis(sulfur dioxide);(2,4,6-trimethylcyclohexyl) 2-[3-[2-(1-acetamido-1-oxopropan-2-yl)oxy-5-tert-butylanilino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate?

The canonical SMILES for (E)-3-[2-[5-[5-[bis(prop-2-enyl)carbamoyloxy]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-chlorophenyl]sulfinamoyloxy-4-(2-methylbutan-2-yl)phenoxy]but-2-enoic acid;3-[4-tert-butyl-2-[5-[5-chloro-7-(4-cyclohexyl-2,6-dimethylcyclohexyl)oxycarbonyl-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-methylanilino]phenoxy]butanoic acid;2-[[4-[6-isocyano-5-(morpholine-4-carbonyloxy)-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]phenyl]sulfonylamino]-6-methylbenzoic acid;bis(sulfur dioxide);(2,4,6-trimethylcyclohexyl) 2-[3-[2-(1-acetamido-1-oxopropan-2-yl)oxy-5-tert-butylanilino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate is O=S=O.O=S=O.[C-]#[N+]c1c(C(=O)OC2C(C)CC(C)CC2C)c2nc(-c3ccc(Cl)c(NS(=O)Oc4cc(C(C)(C)CC)ccc4O/C(C)=C/C(=O)O)c3)[nH]n2c1OC(=O)N(CC=C)CC=C.[C-]#[N+]c1c(C(=O)OC2C(C)CC(C)CC2C)c2nc(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C(=O)O)cc3)[nH]n2c1OC(=O)N1CCOCC1.[C-]#[N+]c1c(C(=O)OC2C(C)CC(C3CCCCC3)CC2C)c2nc(-c3ccc(C)c(Nc4cc(C(C)(C)C)ccc4OC(C)CC(=O)O)c3)[nH]n2c1Cl.[C-]#[N+]c1cn2[nH]c(-c3ccc(OC)c(Nc4cc(C(C)(C)C)ccc4OC(C)C(=O)NC(C)=O)c3)nc2c1C(=O)OC1C(C)CC(C)CC1C.

What is the InChIKey of (E)-3-[2-[5-[5-[bis(prop-2-enyl)carbamoyloxy]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-chlorophenyl]sulfinamoyloxy-4-(2-methylbutan-2-yl)phenoxy]but-2-enoic acid;3-[4-tert-butyl-2-[5-[5-chloro-7-(4-cyclohexyl-2,6-dimethylcyclohexyl)oxycarbonyl-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-methylanilino]phenoxy]butanoic acid;2-[[4-[6-isocyano-5-(morpholine-4-carbonyloxy)-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]phenyl]sulfonylamino]-6-methylbenzoic acid;bis(sulfur dioxide);(2,4,6-trimethylcyclohexyl) 2-[3-[2-(1-acetamido-1-oxopropan-2-yl)oxy-5-tert-butylanilino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate?

The InChIKey is RTVXFMMYKCQTND-VUNQSRJOSA-N. The full InChI is InChI=1S/C44H51ClN6O9S.C42H52ClN5O5.C38H46N6O6.C35H38N6O9S.2O2S/c1-11-18-50(19-12-2)43(55)59-41-37(46-10)36(42(54)58-38-26(5)20-25(4)21-27(38)6)40-47-39(48-51(40)41)29-14-16-31(45)32(23-29)49-61(56)60-34-24-30(44(8,9)13-3)15-17-33(34)57-28(7)22-35(52)53;1-23-14-15-28(21-31(23)45-32-22-30(42(5,6)7)16-17-33(32)52-26(4)20-34(49)50)39-46-40-35(36(44-8)38(43)48(40)47-39)41(51)53-37-24(2)18-29(19-25(37)3)27-12-10-9-11-13-27;1-20-15-21(2)33(22(3)16-20)50-37(47)32-29(39-9)19-44-35(32)42-34(43-44)25-11-13-30(48-10)27(17-25)41-28-18-26(38(6,7)8)12-14-31(28)49-23(4)36(46)40-24(5)45;1-19-17-21(3)29(22(4)18-19)49-34(44)27-28(36-5)32(50-35(45)40-13-15-48-16-14-40)41-31(27)37-30(38-41)23-9-11-24(12-10-23)51(46,47)39-25-8-6-7-20(2)26(25)33(42)43;2*1-3-2/h11-12,14-17,22-27,38,49H,1-2,13,18-21H2,3-9H3,(H,47,48)(H,52,53);14-17,21-22,24-27,29,37,45H,9-13,18-20H2,1-7H3,(H,46,47)(H,49,50);11-14,17-23,33,41H,15-16H2,1-8,10H3,(H,42,43)(H,40,45,46);6-12,19,21-22,29,39H,13-18H2,1-4H3,(H,37,38)(H,42,43);;/b28-22+;;;;;.

What are the key properties of (E)-3-[2-[5-[5-[bis(prop-2-enyl)carbamoyloxy]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-chlorophenyl]sulfinamoyloxy-4-(2-methylbutan-2-yl)phenoxy]but-2-enoic acid;3-[4-tert-butyl-2-[5-[5-chloro-7-(4-cyclohexyl-2,6-dimethylcyclohexyl)oxycarbonyl-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-methylanilino]phenoxy]butanoic acid;2-[[4-[6-isocyano-5-(morpholine-4-carbonyloxy)-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]phenyl]sulfonylamino]-6-methylbenzoic acid;bis(sulfur dioxide);(2,4,6-trimethylcyclohexyl) 2-[3-[2-(1-acetamido-1-oxopropan-2-yl)oxy-5-tert-butylanilino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate?

(E)-3-[2-[5-[5-[bis(prop-2-enyl)carbamoyloxy]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-chlorophenyl]sulfinamoyloxy-4-(2-methylbutan-2-yl)phenoxy]but-2-enoic acid;3-[4-tert-butyl-2-[5-[5-chloro-7-(4-cyclohexyl-2,6-dimethylcyclohexyl)oxycarbonyl-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-methylanilino]phenoxy]butanoic acid;2-[[4-[6-isocyano-5-(morpholine-4-carbonyloxy)-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]phenyl]sulfonylamino]-6-methylbenzoic acid;bis(sulfur dioxide);(2,4,6-trimethylcyclohexyl) 2-[3-[2-(1-acetamido-1-oxopropan-2-yl)oxy-5-tert-butylanilino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate has a molecular weight of 3147.55 g/mol, XLogP of 32.96, 44 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[2-[5-[5-[bis(prop-2-enyl)carbamoyloxy]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-chlorophenyl]sulfinamoyloxy-4-(2-methylbutan-2-yl)phenoxy]but-2-enoic acid;3-[4-tert-butyl-2-[5-[5-chloro-7-(4-cyclohexyl-2,6-dimethylcyclohexyl)oxycarbonyl-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]-2-methylanilino]phenoxy]butanoic acid;2-[[4-[6-isocyano-5-(morpholine-4-carbonyloxy)-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]phenyl]sulfonylamino]-6-methylbenzoic acid;bis(sulfur dioxide);(2,4,6-trimethylcyclohexyl) 2-[3-[2-(1-acetamido-1-oxopropan-2-yl)oxy-5-tert-butylanilino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate is sourced from PubChem (CID 54285581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).