4-[(2S)-2-amino-3-[[4-methoxy-3-(5-oxo-1H-tetrazol-4-yl)phenyl]methyl-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-oxopropyl]-3,5-dimethylbenzamide;1-[(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]tetrazol-5-olate;2-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]-4H-1,2,4-triazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;ethane;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;1-[3-(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-3-oxopropyl]-4H-triazol-5-one

C149H147F6N37O20S2 — CID 172986730

About 4-[(2S)-2-amino-3-[[4-methoxy-3-(5-oxo-1H-tetrazol-4-yl)phenyl]methyl-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-oxopropyl]-3,5-dimethylbenzamide;1-[(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]tetrazol-5-olate;2-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]-4H-1,2,4-triazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;ethane;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;1-[3-(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-3-oxopropyl]-4H-triazol-5-one

4-[(2S)-2-amino-3-[[4-methoxy-3-(5-oxo-1H-tetrazol-4-yl)phenyl]methyl-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-oxopropyl]-3,5-dimethylbenzamide;1-[(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]tetrazol-5-olate;2-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]-4H-1,2,4-triazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;ethane;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;1-[3-(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-3-oxopropyl]-4H-triazol-5-one (PubChem CID 172986730) has the molecular formula C149H147F6N37O20S2 and a molecular weight of 2954.18 g/mol. Its IUPAC name is 4-[(2S)-2-amino-3-[[4-methoxy-3-(5-oxo-1H-tetrazol-4-yl)phenyl]methyl-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-oxopropyl]-3,5-dimethylbenzamide;1-[(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]tetrazol-5-olate;2-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]-4H-1,2,4-triazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;ethane;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;1-[3-(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-3-oxopropyl]-4H-triazol-5-one.

Molecular Properties

• Compound Name: 4-[(2S)-2-amino-3-[[4-methoxy-3-(5-oxo-1H-tetrazol-4-yl)phenyl]methyl-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-oxopropyl]-3,5-dimethylbenzamide;1-[(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]tetrazol-5-olate;2-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]-4H-1,2,4-triazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;ethane;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;1-[3-(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-3-oxopropyl]-4H-triazol-5-one
• PubChem CID: 172986730
• Molecular Formula: C149H147F6N37O20S2
• Molecular Weight: 2954.18 g/mol
• Exact Mass: 2952.10
• IUPAC Name: 4-[(2S)-2-amino-3-[[4-methoxy-3-(5-oxo-1H-tetrazol-4-yl)phenyl]methyl-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-oxopropyl]-3,5-dimethylbenzamide;1-[(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]tetrazol-5-olate;2-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]-4H-1,2,4-triazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;ethane;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;1-[3-(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-3-oxopropyl]-4H-triazol-5-one
• SMILES: CC.CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(n2nc[nH]c2=O)C1.CO/N=C(\C(=O)C[C@@H]1C(=O)N2C(n3nnnc3[O-])=C(C[n+]3cccc4c3CCC4)CS[C@H]12)c1cnc(N)s1.COc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2ncc(-c3ccccc3)[nH]2)cc1-n1nn[nH]c1=O.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(N2N=NCC2=O)c1.Cc1nc(C(=O)CCN2N=NCC2=O)c(O)c2ccc(Oc3ccccc3)cc12.O=c1[nH]cnn1-c1cccc(-c2noc(-c3ccccc3F)n2)c1
• InChI: InChI=1S/C32H35N9O4.C30H36F3N5O2.C25H19F2N5O4.C23H23N9O4S2.C21H18N4O4.C16H10FN5O2.C2H6/c1-18-12-23(29(34)42)13-19(2)24(18)15-25(33)31(43)40(20(3)30-35-16-26(36-30)22-8-6-5-7-9-22)17-21-10-11-28(45-4)27(14-21)41-32(44)37-38-39-41;1-3-22-14-24(10-11-25(22)15-37-16-26(17-37)38-29(39)34-19-35-38)20(2)36-40-18-21-9-12-27(23-7-5-4-6-8-23)28(13-21)30(31,32)33;1-14-5-8-20(29-22(14)15-3-2-4-17(11-15)32-21(33)13-28-31-32)30-23(34)24(9-10-24)16-6-7-18-19(12-16)36-25(26,27)35-18;1-36-27-18(17-9-25-22(24)38-17)16(33)8-14-20(34)31-19(32-23(35)26-28-29-32)13(11-37-21(14)31)10-30-7-3-5-12-4-2-6-15(12)30;1-13-17-11-15(29-14-5-3-2-4-6-14)7-8-16(17)21(28)20(23-13)18(26)9-10-25-19(27)12-22-24-25;17-13-7-2-1-6-12(13)15-20-14(21-24-15)10-4-3-5-11(8-10)22-16(23)18-9-19-22;1-2/h5-14,16,20,25H,15,17,33H2,1-4H3,(H2,34,42)(H,35,36)(H,37,39,44);9-14,19,23,26H,3-8,15-18H2,1-2H3,(H,34,35,39);2-8,11-12H,9-10,13H2,1H3,(H,29,30,34);3,5,7,9,14,21H,2,4,6,8,10-11H2,1H3,(H2-,24,25,26,27,29,35);2-8,11,28H,9-10,12H2,1H3;1-9H,(H,18,19,23);1-2H3/b;36-20+;;;;;/t20-,25-;;;14-,21-;;;/m0..1.../s1
• InChIKey: FKSVOCYVXZKEGU-DUNVXLAMSA-N
• XLogP: 20.93
• TPSA: 734.36 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 48
• Rotatable Bonds: 42
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2954.18
LogP ≤ 5	20.93
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-3-[[4-methoxy-3-(5-oxo-1H-tetrazol-4-yl)phenyl]methyl-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-oxopropyl]-3,5-dimethylbenzamide;1-[(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]tetrazol-5-olate;2-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]-4H-1,2,4-triazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;ethane;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;1-[3-(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-3-oxopropyl]-4H-triazol-5-one?

The IUPAC name of 4-[(2S)-2-amino-3-[[4-methoxy-3-(5-oxo-1H-tetrazol-4-yl)phenyl]methyl-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-oxopropyl]-3,5-dimethylbenzamide;1-[(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]tetrazol-5-olate;2-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]-4H-1,2,4-triazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;ethane;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;1-[3-(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-3-oxopropyl]-4H-triazol-5-one (CID 172986730) is 4-[(2S)-2-amino-3-[[4-methoxy-3-(5-oxo-1H-tetrazol-4-yl)phenyl]methyl-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-oxopropyl]-3,5-dimethylbenzamide;1-[(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]tetrazol-5-olate;2-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]-4H-1,2,4-triazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;ethane;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;1-[3-(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-3-oxopropyl]-4H-triazol-5-one.

What is the SMILES notation for 4-[(2S)-2-amino-3-[[4-methoxy-3-(5-oxo-1H-tetrazol-4-yl)phenyl]methyl-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-oxopropyl]-3,5-dimethylbenzamide;1-[(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]tetrazol-5-olate;2-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]-4H-1,2,4-triazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;ethane;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;1-[3-(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-3-oxopropyl]-4H-triazol-5-one?

The canonical SMILES for 4-[(2S)-2-amino-3-[[4-methoxy-3-(5-oxo-1H-tetrazol-4-yl)phenyl]methyl-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-oxopropyl]-3,5-dimethylbenzamide;1-[(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]tetrazol-5-olate;2-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]-4H-1,2,4-triazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;ethane;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;1-[3-(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-3-oxopropyl]-4H-triazol-5-one is CC.CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(n2nc[nH]c2=O)C1.CO/N=C(\C(=O)C[C@@H]1C(=O)N2C(n3nnnc3[O-])=C(C[n+]3cccc4c3CCC4)CS[C@H]12)c1cnc(N)s1.COc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2ncc(-c3ccccc3)[nH]2)cc1-n1nn[nH]c1=O.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(N2N=NCC2=O)c1.Cc1nc(C(=O)CCN2N=NCC2=O)c(O)c2ccc(Oc3ccccc3)cc12.O=c1[nH]cnn1-c1cccc(-c2noc(-c3ccccc3F)n2)c1.

What is the InChIKey of 4-[(2S)-2-amino-3-[[4-methoxy-3-(5-oxo-1H-tetrazol-4-yl)phenyl]methyl-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-oxopropyl]-3,5-dimethylbenzamide;1-[(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]tetrazol-5-olate;2-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]-4H-1,2,4-triazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;ethane;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;1-[3-(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-3-oxopropyl]-4H-triazol-5-one?

The InChIKey is FKSVOCYVXZKEGU-DUNVXLAMSA-N. The full InChI is InChI=1S/C32H35N9O4.C30H36F3N5O2.C25H19F2N5O4.C23H23N9O4S2.C21H18N4O4.C16H10FN5O2.C2H6/c1-18-12-23(29(34)42)13-19(2)24(18)15-25(33)31(43)40(20(3)30-35-16-26(36-30)22-8-6-5-7-9-22)17-21-10-11-28(45-4)27(14-21)41-32(44)37-38-39-41;1-3-22-14-24(10-11-25(22)15-37-16-26(17-37)38-29(39)34-19-35-38)20(2)36-40-18-21-9-12-27(23-7-5-4-6-8-23)28(13-21)30(31,32)33;1-14-5-8-20(29-22(14)15-3-2-4-17(11-15)32-21(33)13-28-31-32)30-23(34)24(9-10-24)16-6-7-18-19(12-16)36-25(26,27)35-18;1-36-27-18(17-9-25-22(24)38-17)16(33)8-14-20(34)31-19(32-23(35)26-28-29-32)13(11-37-21(14)31)10-30-7-3-5-12-4-2-6-15(12)30;1-13-17-11-15(29-14-5-3-2-4-6-14)7-8-16(17)21(28)20(23-13)18(26)9-10-25-19(27)12-22-24-25;17-13-7-2-1-6-12(13)15-20-14(21-24-15)10-4-3-5-11(8-10)22-16(23)18-9-19-22;1-2/h5-14,16,20,25H,15,17,33H2,1-4H3,(H2,34,42)(H,35,36)(H,37,39,44);9-14,19,23,26H,3-8,15-18H2,1-2H3,(H,34,35,39);2-8,11-12H,9-10,13H2,1H3,(H,29,30,34);3,5,7,9,14,21H,2,4,6,8,10-11H2,1H3,(H2-,24,25,26,27,29,35);2-8,11,28H,9-10,12H2,1H3;1-9H,(H,18,19,23);1-2H3/b;36-20+;;;;;/t20-,25-;;;14-,21-;;;/m0..1.../s1.

What are the key properties of 4-[(2S)-2-amino-3-[[4-methoxy-3-(5-oxo-1H-tetrazol-4-yl)phenyl]methyl-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-oxopropyl]-3,5-dimethylbenzamide;1-[(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]tetrazol-5-olate;2-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]-4H-1,2,4-triazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;ethane;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;1-[3-(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-3-oxopropyl]-4H-triazol-5-one?

4-[(2S)-2-amino-3-[[4-methoxy-3-(5-oxo-1H-tetrazol-4-yl)phenyl]methyl-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-oxopropyl]-3,5-dimethylbenzamide;1-[(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]tetrazol-5-olate;2-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]-4H-1,2,4-triazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;ethane;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;1-[3-(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-3-oxopropyl]-4H-triazol-5-one has a molecular weight of 2954.18 g/mol, XLogP of 20.93, 42 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2S)-2-amino-3-[[4-methoxy-3-(5-oxo-1H-tetrazol-4-yl)phenyl]methyl-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-oxopropyl]-3,5-dimethylbenzamide;1-[(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]tetrazol-5-olate;2-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]-4H-1,2,4-triazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;ethane;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;1-[3-(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-3-oxopropyl]-4H-triazol-5-one is sourced from PubChem (CID 172986730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).