4-[(2S)-2-amino-3-[[4-ethyl-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-[4-[[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexyl]-4H-pyrazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-1,2,4-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;4-hydroxy-1-methyl-N-[(5-oxo-4H-triazol-1-yl)methyl]-7-phenoxyisoquinoline-3-carboxamide

C150H144F9N41O18S2 — CID 172935234

About 4-[(2S)-2-amino-3-[[4-ethyl-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-[4-[[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexyl]-4H-pyrazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-1,2,4-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;4-hydroxy-1-methyl-N-[(5-oxo-4H-triazol-1-yl)methyl]-7-phenoxyisoquinoline-3-carboxamide

4-[(2S)-2-amino-3-[[4-ethyl-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-[4-[[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexyl]-4H-pyrazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-1,2,4-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;4-hydroxy-1-methyl-N-[(5-oxo-4H-triazol-1-yl)methyl]-7-phenoxyisoquinoline-3-carboxamide (PubChem CID 172935234) has the molecular formula C150H144F9N41O18S2 and a molecular weight of 3044.19 g/mol. Its IUPAC name is 4-[(2S)-2-amino-3-[[4-ethyl-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-[4-[[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexyl]-4H-pyrazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-1,2,4-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;4-hydroxy-1-methyl-N-[(5-oxo-4H-triazol-1-yl)methyl]-7-phenoxyisoquinoline-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(2S)-2-amino-3-[[4-ethyl-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-[4-[[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexyl]-4H-pyrazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-1,2,4-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;4-hydroxy-1-methyl-N-[(5-oxo-4H-triazol-1-yl)methyl]-7-phenoxyisoquinoline-3-carboxamide
• PubChem CID: 172935234
• Molecular Formula: C150H144F9N41O18S2
• Molecular Weight: 3044.19 g/mol
• Exact Mass: 3042.09
• IUPAC Name: 4-[(2S)-2-amino-3-[[4-ethyl-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-[4-[[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexyl]-4H-pyrazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-1,2,4-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;4-hydroxy-1-methyl-N-[(5-oxo-4H-triazol-1-yl)methyl]-7-phenoxyisoquinoline-3-carboxamide
• SMILES: CCc1ccc(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.CO/N=C(\C(=O)C[C@@H]1C(=O)N2C(n3nnnc3[O-])=C(C[n+]3cccc4c3CCC4)CS[C@H]12)c1cnc(N)s1.Cc1cc(C)c2c(c1)[C@@H](N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)CCCN2CC1CCC(N2N=CCC2=O)CC1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(-n2nc[nH]c2=O)c1.Cc1nc(C(=O)NCN2N=NCC2=O)c(O)c2ccc(Oc3ccccc3)cc12.O=c1[nH]cnn1-c1cccc(-c2noc(-c3ccccc3F)n2)c1
• InChI: InChI=1S/C33H38F6N8O.C33H37N9O3.C25H19F2N5O4.C23H23N9O4S2.C20H17N5O4.C16H10FN5O2/c1-20-13-21(2)30-27(14-20)28(5-4-12-45(30)18-22-6-8-26(9-7-22)47-29(48)10-11-40-47)46(31-41-43-44(3)42-31)19-23-15-24(32(34,35)36)17-25(16-23)33(37,38)39;1-5-23-12-11-22(15-29(23)42-33(45)38-39-40-42)18-41(21(4)31-36-17-28(37-31)24-9-7-6-8-10-24)32(44)27(34)16-26-19(2)13-25(30(35)43)14-20(26)3;1-14-5-8-20(30-21(14)15-3-2-4-17(11-15)32-23(34)28-13-29-32)31-22(33)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;1-12-16-9-14(29-13-5-3-2-4-6-13)7-8-15(16)19(27)18(23-12)20(28)21-11-25-17(26)10-22-24-25;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/h11,13-17,22,26,28H,4-10,12,18-19H2,1-3H3;6-15,17,21,27H,5,16,18,34H2,1-4H3,(H2,35,43)(H,36,37)(H,38,40,45);2-8,11-13H,9-10H2,1H3,(H,28,29,34)(H,30,31,33);3,5,7,9,14,21H,2,4,6,8,10-11H2,1H3,(H2-,24,25,26,27,29,35);2-9,27H,10-11H2,1H3,(H,21,28);1-9H,(H,18,19,23)/t22?,26?,28-;21-,27-;;14-,21-;;/m00.1../s1
• InChIKey: BBLFRMXWVHKGRZ-DXRBDZEUSA-N
• XLogP: 19.52
• TPSA: 750.05 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 49
• Rotatable Bonds: 39
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3044.19
LogP ≤ 5	19.52
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	49

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-ethyl-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-[4-[[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexyl]-4H-pyrazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-1,2,4-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;4-hydroxy-1-methyl-N-[(5-oxo-4H-triazol-1-yl)methyl]-7-phenoxyisoquinoline-3-carboxamide?

The IUPAC name of 4-[(2S)-2-amino-3-[[4-ethyl-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-[4-[[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexyl]-4H-pyrazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-1,2,4-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;4-hydroxy-1-methyl-N-[(5-oxo-4H-triazol-1-yl)methyl]-7-phenoxyisoquinoline-3-carboxamide (CID 172935234) is 4-[(2S)-2-amino-3-[[4-ethyl-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-[4-[[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexyl]-4H-pyrazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-1,2,4-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;4-hydroxy-1-methyl-N-[(5-oxo-4H-triazol-1-yl)methyl]-7-phenoxyisoquinoline-3-carboxamide.

What is the SMILES notation for 4-[(2S)-2-amino-3-[[4-ethyl-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-[4-[[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexyl]-4H-pyrazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-1,2,4-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;4-hydroxy-1-methyl-N-[(5-oxo-4H-triazol-1-yl)methyl]-7-phenoxyisoquinoline-3-carboxamide?

The canonical SMILES for 4-[(2S)-2-amino-3-[[4-ethyl-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-[4-[[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexyl]-4H-pyrazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-1,2,4-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;4-hydroxy-1-methyl-N-[(5-oxo-4H-triazol-1-yl)methyl]-7-phenoxyisoquinoline-3-carboxamide is CCc1ccc(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.CO/N=C(\C(=O)C[C@@H]1C(=O)N2C(n3nnnc3[O-])=C(C[n+]3cccc4c3CCC4)CS[C@H]12)c1cnc(N)s1.Cc1cc(C)c2c(c1)[C@@H](N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)CCCN2CC1CCC(N2N=CCC2=O)CC1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(-n2nc[nH]c2=O)c1.Cc1nc(C(=O)NCN2N=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-ethyl-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-[4-[[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexyl]-4H-pyrazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-1,2,4-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;4-hydroxy-1-methyl-N-[(5-oxo-4H-triazol-1-yl)methyl]-7-phenoxyisoquinoline-3-carboxamide?

The InChIKey is BBLFRMXWVHKGRZ-DXRBDZEUSA-N. The full InChI is InChI=1S/C33H38F6N8O.C33H37N9O3.C25H19F2N5O4.C23H23N9O4S2.C20H17N5O4.C16H10FN5O2/c1-20-13-21(2)30-27(14-20)28(5-4-12-45(30)18-22-6-8-26(9-7-22)47-29(48)10-11-40-47)46(31-41-43-44(3)42-31)19-23-15-24(32(34,35)36)17-25(16-23)33(37,38)39;1-5-23-12-11-22(15-29(23)42-33(45)38-39-40-42)18-41(21(4)31-36-17-28(37-31)24-9-7-6-8-10-24)32(44)27(34)16-26-19(2)13-25(30(35)43)14-20(26)3;1-14-5-8-20(30-21(14)15-3-2-4-17(11-15)32-23(34)28-13-29-32)31-22(33)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;1-12-16-9-14(29-13-5-3-2-4-6-13)7-8-15(16)19(27)18(23-12)20(28)21-11-25-17(26)10-22-24-25;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/h11,13-17,22,26,28H,4-10,12,18-19H2,1-3H3;6-15,17,21,27H,5,16,18,34H2,1-4H3,(H2,35,43)(H,36,37)(H,38,40,45);2-8,11-13H,9-10H2,1H3,(H,28,29,34)(H,30,31,33);3,5,7,9,14,21H,2,4,6,8,10-11H2,1H3,(H2-,24,25,26,27,29,35);2-9,27H,10-11H2,1H3,(H,21,28);1-9H,(H,18,19,23)/t22?,26?,28-;21-,27-;;14-,21-;;/m00.1../s1.

What are the key properties of 4-[(2S)-2-amino-3-[[4-ethyl-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-[4-[[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexyl]-4H-pyrazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-1,2,4-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;4-hydroxy-1-methyl-N-[(5-oxo-4H-triazol-1-yl)methyl]-7-phenoxyisoquinoline-3-carboxamide?

4-[(2S)-2-amino-3-[[4-ethyl-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-[4-[[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexyl]-4H-pyrazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-1,2,4-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;4-hydroxy-1-methyl-N-[(5-oxo-4H-triazol-1-yl)methyl]-7-phenoxyisoquinoline-3-carboxamide has a molecular weight of 3044.19 g/mol, XLogP of 19.52, 39 rotatable bonds, 10 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2S)-2-amino-3-[[4-ethyl-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-[4-[[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexyl]-4H-pyrazol-3-one;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[3-(5-oxo-4H-1,2,4-triazol-1-yl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4H-1,2,4-triazol-3-one;4-hydroxy-1-methyl-N-[(5-oxo-4H-triazol-1-yl)methyl]-7-phenoxyisoquinoline-3-carboxamide is sourced from PubChem (CID 172935234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).