(1S,5Z,22R,25S)-16-acetyl-13-methyl-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpropoxy)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(5-methylpyrimidin-2-yl)oxy-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one

C119H146N20O18 — CID 167535523

IUPAC(1S,5Z,22R,25S)-16-acetyl-13-methyl-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpropoxy)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(5-methylpyrimidin-2-yl)oxy-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one
SMILESCCC(=O)[C@@H]1C[C@]23COC/C=C\CCNCc4cc(-c5cnc(C)nc5)cc5c(C(C)=O)nn(c45)CC(=O)N1[C@@H]2C3.CCC(=O)[C@@H]1C[C@]23COC/C=C\CCNCc4cc(C)cc5c(C(C)=O)nn(c45)CC(=O)N1[C@@H]2C3.CCC(=O)[C@@H]1C[C@]23COC/C=C\CCNCc4cc(OCC(C)C)cc5c(C(C)=O)nn(c45)CC(=O)N1[C@@H]2C3.CCC(=O)[C@@H]1C[C@]23COC/C=C\CCNCc4cc(Oc5ncc(C)cn5)cc5c(C(C)=O)nn(c45)CC(=O)N1[C@@H]2C3
InChIInChI=1S/C31H36N6O5.C31H36N6O4.C30H40N4O5.C27H34N4O4/c1-4-25(39)24-12-31-13-26(31)37(24)27(40)17-36-29-21(16-32-8-6-5-7-9-41-18-31)10-22(11-23(29)28(35-36)20(3)38)42-30-33-14-19(2)15-34-30;1-4-26(39)25-12-31-13-27(31)37(25)28(40)17-36-30-22(14-32-8-6-5-7-9-41-18-31)10-21(23-15-33-20(3)34-16-23)11-24(30)29(35-36)19(2)38;1-5-25(36)24-13-30-14-26(30)34(24)27(37)16-33-29-21(15-31-9-7-6-8-10-38-18-30)11-22(39-17-19(2)3)12-23(29)28(32-33)20(4)35;1-4-22(33)21-12-27-13-23(27)31(21)24(34)15-30-26-19(14-28-8-6-5-7-9-35-16-27)10-17(2)11-20(26)25(29-30)18(3)32/h5,7,10-11,14-15,24,26,32H,4,6,8-9,12-13,16-18H2,1-3H3;5,7,10-11,15-16,25,27,32H,4,6,8-9,12-14,17-18H2,1-3H3;6,8,11-12,19,24,26,31H,5,7,9-10,13-18H2,1-4H3;5,7,10-11,21,23,28H,4,6,8-9,12-16H2,1-3H3/b2*7-5-;8-6-;7-5-/t24-,26+,31-;25-,27+,31-;24-,26+,30-;21-,23+,27-/m0000/s1
InChIKeyAMWTYNJUPKZHCI-UTJICUQASA-N
MW2144.60 g/mol
LogP13.57
Rot. Bonds18

About (1S,5Z,22R,25S)-16-acetyl-13-methyl-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpropoxy)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(5-methylpyrimidin-2-yl)oxy-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one

(1S,5Z,22R,25S)-16-acetyl-13-methyl-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpropoxy)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(5-methylpyrimidin-2-yl)oxy-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one (PubChem CID 167535523) has the molecular formula C119H146N20O18 and a molecular weight of 2144.60 g/mol. Its IUPAC name is (1S,5Z,22R,25S)-16-acetyl-13-methyl-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpropoxy)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(5-methylpyrimidin-2-yl)oxy-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one.

Molecular Properties

Compound Name(1S,5Z,22R,25S)-16-acetyl-13-methyl-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpropoxy)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(5-methylpyrimidin-2-yl)oxy-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one
PubChem CID167535523
Molecular FormulaC119H146N20O18
Molecular Weight2144.60 g/mol
Exact Mass2143.11
IUPAC Name(1S,5Z,22R,25S)-16-acetyl-13-methyl-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpropoxy)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(5-methylpyrimidin-2-yl)oxy-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one
SMILESCCC(=O)[C@@H]1C[C@]23COC/C=C\CCNCc4cc(-c5cnc(C)nc5)cc5c(C(C)=O)nn(c45)CC(=O)N1[C@@H]2C3.CCC(=O)[C@@H]1C[C@]23COC/C=C\CCNCc4cc(C)cc5c(C(C)=O)nn(c45)CC(=O)N1[C@@H]2C3.CCC(=O)[C@@H]1C[C@]23COC/C=C\CCNCc4cc(OCC(C)C)cc5c(C(C)=O)nn(c45)CC(=O)N1[C@@H]2C3.CCC(=O)[C@@H]1C[C@]23COC/C=C\CCNCc4cc(Oc5ncc(C)cn5)cc5c(C(C)=O)nn(c45)CC(=O)N1[C@@H]2C3
InChIInChI=1S/C31H36N6O5.C31H36N6O4.C30H40N4O5.C27H34N4O4/c1-4-25(39)24-12-31-13-26(31)37(24)27(40)17-36-29-21(16-32-8-6-5-7-9-41-18-31)10-22(11-23(29)28(35-36)20(3)38)42-30-33-14-19(2)15-34-30;1-4-26(39)25-12-31-13-27(31)37(25)28(40)17-36-30-22(14-32-8-6-5-7-9-41-18-31)10-21(23-15-33-20(3)34-16-23)11-24(30)29(35-36)19(2)38;1-5-25(36)24-13-30-14-26(30)34(24)27(37)16-33-29-21(15-31-9-7-6-8-10-38-18-30)11-22(39-17-19(2)3)12-23(29)28(32-33)20(4)35;1-4-22(33)21-12-27-13-23(27)31(21)24(34)15-30-26-19(14-28-8-6-5-7-9-35-16-27)10-17(2)11-20(26)25(29-30)18(3)32/h5,7,10-11,14-15,24,26,32H,4,6,8-9,12-13,16-18H2,1-3H3;5,7,10-11,15-16,25,27,32H,4,6,8-9,12-14,17-18H2,1-3H3;6,8,11-12,19,24,26,31H,5,7,9-10,13-18H2,1-4H3;5,7,10-11,21,23,28H,4,6,8-9,12-16H2,1-3H3/b2*7-5-;8-6-;7-5-/t24-,26+,31-;25-,27+,31-;24-,26+,30-;21-,23+,27-/m0000/s1
InChIKeyAMWTYNJUPKZHCI-UTJICUQASA-N
XLogP13.57
TPSA444.14 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds18
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002144.60
LogP ≤ 513.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze (1S,5Z,22R,25S)-16-acetyl-13-methyl-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpropoxy)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(5-methylpyrimidin-2-yl)oxy-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one with MolForge

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Related Compounds

(1R,3S,5R)-2-[2-[3-acetyl-5-(pyrimidin-2-ylmethoxy)indazol-1-yl]acetyl]-N-(3,3-dimethylbutyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 72699520
(1R,21R,24S)-15-acetyl-12-(5-methylpyrimidin-2-yl)oxy-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-4,19-dioxo-3,16,17,20-tetrazapentacyclo[18.2.2.110,14.01,21.017,25]pentacosa-10(25),11,13,15-tetraene-24-carboxamide
CID 169551446
(1R,3S,5R)-2-[2-[3-acetyl-5-(pyrimidin-2-ylmethoxy)indazol-1-yl]acetyl]-N-[(1R,3S)-3-methylcyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 72720975
(1R,3S,5R)-2-[2-[3-acetyl-5-(pyrimidin-2-ylmethoxy)indazol-1-yl]acetyl]-N-[(1S)-3,3-dimethylcyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 72720976
(1R,3S,5R)-2-[2-[3-acetyl-5-(pyrimidin-2-ylmethoxy)indazol-1-yl]acetyl]-N-[(1R)-3,3-dimethylcyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 72720977
(1R,3S,5R)-2-[2-[3-acetyl-5-(pyrimidin-2-ylmethoxy)indazol-1-yl]acetyl]-N-(3,3-dimethylcyclobutyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 72721078
US11084800, Cpd No. 575
CID 135317858
US11084800, Cpd No. 449
CID 135317872
US11084800, Cpd No. 576
CID 135318908
US11053253, Cmp No. T-141
CID 147046405
US11053253, Cmp No. T-137
CID 147369317
US11053253, Cmp No. T-140
CID 149384565

Frequently Asked Questions

What is the IUPAC name of (1S,5Z,22R,25S)-16-acetyl-13-methyl-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpropoxy)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(5-methylpyrimidin-2-yl)oxy-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one?
The IUPAC name of (1S,5Z,22R,25S)-16-acetyl-13-methyl-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpropoxy)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(5-methylpyrimidin-2-yl)oxy-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one (CID 167535523) is (1S,5Z,22R,25S)-16-acetyl-13-methyl-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpropoxy)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(5-methylpyrimidin-2-yl)oxy-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one.
What is the SMILES notation for (1S,5Z,22R,25S)-16-acetyl-13-methyl-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpropoxy)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(5-methylpyrimidin-2-yl)oxy-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one?
The canonical SMILES for (1S,5Z,22R,25S)-16-acetyl-13-methyl-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpropoxy)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(5-methylpyrimidin-2-yl)oxy-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one is CCC(=O)[C@@H]1C[C@]23COC/C=C\CCNCc4cc(-c5cnc(C)nc5)cc5c(C(C)=O)nn(c45)CC(=O)N1[C@@H]2C3.CCC(=O)[C@@H]1C[C@]23COC/C=C\CCNCc4cc(C)cc5c(C(C)=O)nn(c45)CC(=O)N1[C@@H]2C3.CCC(=O)[C@@H]1C[C@]23COC/C=C\CCNCc4cc(OCC(C)C)cc5c(C(C)=O)nn(c45)CC(=O)N1[C@@H]2C3.CCC(=O)[C@@H]1C[C@]23COC/C=C\CCNCc4cc(Oc5ncc(C)cn5)cc5c(C(C)=O)nn(c45)CC(=O)N1[C@@H]2C3.
What is the InChIKey of (1S,5Z,22R,25S)-16-acetyl-13-methyl-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpropoxy)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(5-methylpyrimidin-2-yl)oxy-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one?
The InChIKey is AMWTYNJUPKZHCI-UTJICUQASA-N. The full InChI is InChI=1S/C31H36N6O5.C31H36N6O4.C30H40N4O5.C27H34N4O4/c1-4-25(39)24-12-31-13-26(31)37(24)27(40)17-36-29-21(16-32-8-6-5-7-9-41-18-31)10-22(11-23(29)28(35-36)20(3)38)42-30-33-14-19(2)15-34-30;1-4-26(39)25-12-31-13-27(31)37(25)28(40)17-36-30-22(14-32-8-6-5-7-9-41-18-31)10-21(23-15-33-20(3)34-16-23)11-24(30)29(35-36)19(2)38;1-5-25(36)24-13-30-14-26(30)34(24)27(37)16-33-29-21(15-31-9-7-6-8-10-38-18-30)11-22(39-17-19(2)3)12-23(29)28(32-33)20(4)35;1-4-22(33)21-12-27-13-23(27)31(21)24(34)15-30-26-19(14-28-8-6-5-7-9-35-16-27)10-17(2)11-20(26)25(29-30)18(3)32/h5,7,10-11,14-15,24,26,32H,4,6,8-9,12-13,16-18H2,1-3H3;5,7,10-11,15-16,25,27,32H,4,6,8-9,12-14,17-18H2,1-3H3;6,8,11-12,19,24,26,31H,5,7,9-10,13-18H2,1-4H3;5,7,10-11,21,23,28H,4,6,8-9,12-16H2,1-3H3/b2*7-5-;8-6-;7-5-/t24-,26+,31-;25-,27+,31-;24-,26+,30-;21-,23+,27-/m0000/s1.
What are the key properties of (1S,5Z,22R,25S)-16-acetyl-13-methyl-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpropoxy)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(5-methylpyrimidin-2-yl)oxy-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one?
(1S,5Z,22R,25S)-16-acetyl-13-methyl-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpropoxy)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(5-methylpyrimidin-2-yl)oxy-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one has a molecular weight of 2144.60 g/mol, XLogP of 13.57, 18 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5Z,22R,25S)-16-acetyl-13-methyl-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpropoxy)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(5-methylpyrimidin-2-yl)oxy-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one;(1S,5Z,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-25-propanoyl-3-oxa-9,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-5,11(26),12,14,16-pentaen-20-one is sourced from PubChem (CID 167535523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).