benzyl (2R)-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxo-2-phenylpiperazine-1-carboxylate;2-[(4R)-2,5-dioxo-4-(pyridin-2-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[(5R)-2-oxo-5-phenylpiperazin-1-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

C175H189F6N35O35 — CID 158689561

IUPACbenzyl (2R)-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxo-2-phenylpiperazine-1-carboxylate;2-[(4R)-2,5-dioxo-4-(pyridin-2-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[(5R)-2-oxo-5-phenylpiperazin-1-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
SMILESCC(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1)C(C)C)C(C)C.CC(C)[C@H](NC(=O)CN1C(=O)NC(c2ccncc2)(N2C(=O)CCC2=O)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)C(NC(=O)CN3C[C@@H](c4ccccc4)NCC3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)NC(c4ccncc4)(N4C(=O)CCC4=O)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)N[C@H](Cc4ccccn4)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C[C@@H](c4ccccc4)N(C(=O)OCc4ccccc4)CC3=O)C(C)C)o2)c1
InChIInChI=1S/C35H37N5O6.C29H26F3N7O7.C29H38F3N5O6.C29H29N7O7.C27H31N5O4.C26H28N6O5/c1-23(2)32(33(43)34-38-37-30(46-34)18-26-14-10-11-24(3)17-26)36-29(41)20-39-19-28(27-15-8-5-9-16-27)40(21-31(39)42)35(44)45-22-25-12-6-4-7-13-25;1-15(2)23(24(43)25-35-20(46-37-25)13-16-4-3-5-18(12-16)29(30,31)32)34-19(40)14-38-26(44)28(36-27(38)45,17-8-10-33-11-9-17)39-21(41)6-7-22(39)42;1-15(2)22(24(38)25-33-21(43-36-25)14-18-9-7-10-19(13-18)29(30,31)32)34-26(39)20-11-8-12-37(20)27(40)23(16(3)4)35-28(41)42-17(5)6;1-16(2)24(25(40)26-34-33-21(43-26)14-18-6-4-5-17(3)13-18)31-20(37)15-35-27(41)29(32-28(35)42,19-9-11-30-12-10-19)36-22(38)7-8-23(36)39;1-17(2)25(26(35)27-31-30-23(36-27)13-19-9-7-8-18(3)12-19)29-22(33)16-32-15-21(28-14-24(32)34)20-10-5-4-6-11-20;1-15(2)22(23(34)24-31-30-21(37-24)12-17-8-6-7-16(3)11-17)29-20(33)14-32-25(35)19(28-26(32)36)13-18-9-4-5-10-27-18/h4-17,23,28,32H,18-22H2,1-3H3,(H,36,41);3-5,8-12,15,23H,6-7,13-14H2,1-2H3,(H,34,40)(H,36,45);7,9-10,13,15-17,20,22-23H,8,11-12,14H2,1-6H3,(H,34,39)(H,35,41);4-6,9-13,16,24H,7-8,14-15H2,1-3H3,(H,31,37)(H,32,42);4-12,17,21,25,28H,13-16H2,1-3H3,(H,29,33);4-11,15,19,22H,12-14H2,1-3H3,(H,28,36)(H,29,33)/t28-,32-;23-,28?;20-,22-,23-;24-,29?;21-,25?;19-,22+/m000001/s1
InChIKeyIGECUBTZJPTPJX-NGXCDGAOSA-N
MW3456.63 g/mol
LogP16.18
Rot. Bonds61

About benzyl (2R)-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxo-2-phenylpiperazine-1-carboxylate;2-[(4R)-2,5-dioxo-4-(pyridin-2-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[(5R)-2-oxo-5-phenylpiperazin-1-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

benzyl (2R)-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxo-2-phenylpiperazine-1-carboxylate;2-[(4R)-2,5-dioxo-4-(pyridin-2-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[(5R)-2-oxo-5-phenylpiperazin-1-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate (PubChem CID 158689561) has the molecular formula C175H189F6N35O35 and a molecular weight of 3456.63 g/mol. Its IUPAC name is benzyl (2R)-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxo-2-phenylpiperazine-1-carboxylate;2-[(4R)-2,5-dioxo-4-(pyridin-2-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[(5R)-2-oxo-5-phenylpiperazin-1-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl (2R)-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxo-2-phenylpiperazine-1-carboxylate;2-[(4R)-2,5-dioxo-4-(pyridin-2-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[(5R)-2-oxo-5-phenylpiperazin-1-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
PubChem CID158689561
Molecular FormulaC175H189F6N35O35
Molecular Weight3456.63 g/mol
Exact Mass3454.40
IUPAC Namebenzyl (2R)-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxo-2-phenylpiperazine-1-carboxylate;2-[(4R)-2,5-dioxo-4-(pyridin-2-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[(5R)-2-oxo-5-phenylpiperazin-1-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
SMILESCC(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1)C(C)C)C(C)C.CC(C)[C@H](NC(=O)CN1C(=O)NC(c2ccncc2)(N2C(=O)CCC2=O)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)C(NC(=O)CN3C[C@@H](c4ccccc4)NCC3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)NC(c4ccncc4)(N4C(=O)CCC4=O)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)N[C@H](Cc4ccccn4)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C[C@@H](c4ccccc4)N(C(=O)OCc4ccccc4)CC3=O)C(C)C)o2)c1
InChIInChI=1S/C35H37N5O6.C29H26F3N7O7.C29H38F3N5O6.C29H29N7O7.C27H31N5O4.C26H28N6O5/c1-23(2)32(33(43)34-38-37-30(46-34)18-26-14-10-11-24(3)17-26)36-29(41)20-39-19-28(27-15-8-5-9-16-27)40(21-31(39)42)35(44)45-22-25-12-6-4-7-13-25;1-15(2)23(24(43)25-35-20(46-37-25)13-16-4-3-5-18(12-16)29(30,31)32)34-19(40)14-38-26(44)28(36-27(38)45,17-8-10-33-11-9-17)39-21(41)6-7-22(39)42;1-15(2)22(24(38)25-33-21(43-36-25)14-18-9-7-10-19(13-18)29(30,31)32)34-26(39)20-11-8-12-37(20)27(40)23(16(3)4)35-28(41)42-17(5)6;1-16(2)24(25(40)26-34-33-21(43-26)14-18-6-4-5-17(3)13-18)31-20(37)15-35-27(41)29(32-28(35)42,19-9-11-30-12-10-19)36-22(38)7-8-23(36)39;1-17(2)25(26(35)27-31-30-23(36-27)13-19-9-7-8-18(3)12-19)29-22(33)16-32-15-21(28-14-24(32)34)20-10-5-4-6-11-20;1-15(2)22(23(34)24-31-30-21(37-24)12-17-8-6-7-16(3)11-17)29-20(33)14-32-25(35)19(28-26(32)36)13-18-9-4-5-10-27-18/h4-17,23,28,32H,18-22H2,1-3H3,(H,36,41);3-5,8-12,15,23H,6-7,13-14H2,1-2H3,(H,34,40)(H,36,45);7,9-10,13,15-17,20,22-23H,8,11-12,14H2,1-6H3,(H,34,39)(H,35,41);4-6,9-13,16,24H,7-8,14-15H2,1-3H3,(H,31,37)(H,32,42);4-12,17,21,25,28H,13-16H2,1-3H3,(H,29,33);4-11,15,19,22H,12-14H2,1-3H3,(H,28,36)(H,29,33)/t28-,32-;23-,28?;20-,22-,23-;24-,29?;21-,25?;19-,22+/m000001/s1
InChIKeyIGECUBTZJPTPJX-NGXCDGAOSA-N
XLogP16.18
TPSA913.03 Ų
H-Bond Donors11
H-Bond Acceptors51
Rotatable Bonds61
Heavy Atoms251
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003456.63
LogP ≤ 516.18
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

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

Analyze benzyl (2R)-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxo-2-phenylpiperazine-1-carboxylate;2-[(4R)-2,5-dioxo-4-(pyridin-2-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[(5R)-2-oxo-5-phenylpiperazin-1-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxo-2-phenylpiperazine-1-carboxylate;2-[(4R)-2,5-dioxo-4-(pyridin-2-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[(5R)-2-oxo-5-phenylpiperazin-1-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?
The IUPAC name of benzyl (2R)-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxo-2-phenylpiperazine-1-carboxylate;2-[(4R)-2,5-dioxo-4-(pyridin-2-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[(5R)-2-oxo-5-phenylpiperazin-1-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate (CID 158689561) is benzyl (2R)-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxo-2-phenylpiperazine-1-carboxylate;2-[(4R)-2,5-dioxo-4-(pyridin-2-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[(5R)-2-oxo-5-phenylpiperazin-1-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for benzyl (2R)-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxo-2-phenylpiperazine-1-carboxylate;2-[(4R)-2,5-dioxo-4-(pyridin-2-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[(5R)-2-oxo-5-phenylpiperazin-1-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?
The canonical SMILES for benzyl (2R)-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxo-2-phenylpiperazine-1-carboxylate;2-[(4R)-2,5-dioxo-4-(pyridin-2-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[(5R)-2-oxo-5-phenylpiperazin-1-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate is CC(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1)C(C)C)C(C)C.CC(C)[C@H](NC(=O)CN1C(=O)NC(c2ccncc2)(N2C(=O)CCC2=O)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)C(NC(=O)CN3C[C@@H](c4ccccc4)NCC3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)NC(c4ccncc4)(N4C(=O)CCC4=O)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)N[C@H](Cc4ccccn4)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C[C@@H](c4ccccc4)N(C(=O)OCc4ccccc4)CC3=O)C(C)C)o2)c1.
What is the InChIKey of benzyl (2R)-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxo-2-phenylpiperazine-1-carboxylate;2-[(4R)-2,5-dioxo-4-(pyridin-2-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[(5R)-2-oxo-5-phenylpiperazin-1-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?
The InChIKey is IGECUBTZJPTPJX-NGXCDGAOSA-N. The full InChI is InChI=1S/C35H37N5O6.C29H26F3N7O7.C29H38F3N5O6.C29H29N7O7.C27H31N5O4.C26H28N6O5/c1-23(2)32(33(43)34-38-37-30(46-34)18-26-14-10-11-24(3)17-26)36-29(41)20-39-19-28(27-15-8-5-9-16-27)40(21-31(39)42)35(44)45-22-25-12-6-4-7-13-25;1-15(2)23(24(43)25-35-20(46-37-25)13-16-4-3-5-18(12-16)29(30,31)32)34-19(40)14-38-26(44)28(36-27(38)45,17-8-10-33-11-9-17)39-21(41)6-7-22(39)42;1-15(2)22(24(38)25-33-21(43-36-25)14-18-9-7-10-19(13-18)29(30,31)32)34-26(39)20-11-8-12-37(20)27(40)23(16(3)4)35-28(41)42-17(5)6;1-16(2)24(25(40)26-34-33-21(43-26)14-18-6-4-5-17(3)13-18)31-20(37)15-35-27(41)29(32-28(35)42,19-9-11-30-12-10-19)36-22(38)7-8-23(36)39;1-17(2)25(26(35)27-31-30-23(36-27)13-19-9-7-8-18(3)12-19)29-22(33)16-32-15-21(28-14-24(32)34)20-10-5-4-6-11-20;1-15(2)22(23(34)24-31-30-21(37-24)12-17-8-6-7-16(3)11-17)29-20(33)14-32-25(35)19(28-26(32)36)13-18-9-4-5-10-27-18/h4-17,23,28,32H,18-22H2,1-3H3,(H,36,41);3-5,8-12,15,23H,6-7,13-14H2,1-2H3,(H,34,40)(H,36,45);7,9-10,13,15-17,20,22-23H,8,11-12,14H2,1-6H3,(H,34,39)(H,35,41);4-6,9-13,16,24H,7-8,14-15H2,1-3H3,(H,31,37)(H,32,42);4-12,17,21,25,28H,13-16H2,1-3H3,(H,29,33);4-11,15,19,22H,12-14H2,1-3H3,(H,28,36)(H,29,33)/t28-,32-;23-,28?;20-,22-,23-;24-,29?;21-,25?;19-,22+/m000001/s1.
What are the key properties of benzyl (2R)-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxo-2-phenylpiperazine-1-carboxylate;2-[(4R)-2,5-dioxo-4-(pyridin-2-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[(5R)-2-oxo-5-phenylpiperazin-1-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?
benzyl (2R)-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxo-2-phenylpiperazine-1-carboxylate;2-[(4R)-2,5-dioxo-4-(pyridin-2-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[(5R)-2-oxo-5-phenylpiperazin-1-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate has a molecular weight of 3456.63 g/mol, XLogP of 16.18, 61 rotatable bonds, 11 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-4-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]-5-oxo-2-phenylpiperazine-1-carboxylate;2-[(4R)-2,5-dioxo-4-(pyridin-2-ylmethyl)imidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[4-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxo-4-pyridin-4-ylimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;N-[3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-[(5R)-2-oxo-5-phenylpiperazin-1-yl]acetamide;propan-2-yl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 158689561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).