benzyl N-[(2S)-3-methyl-1-(N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]anilino)-1-oxobutan-2-yl]carbamate;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-piperidin-4-yl-3H-1,4-benzodiazepin-1-yl)acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide

C138H155N27O23 — CID 159563888

IUPACbenzyl N-[(2S)-3-methyl-1-(N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]anilino)-1-oxobutan-2-yl]carbamate;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-piperidin-4-yl-3H-1,4-benzodiazepin-1-yl)acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
SMILESCc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN(C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)c3ccccc3)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CN=C(C4CCNCC4)c4ccccc43)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CNC3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)NC(C)(C)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)Cn3c(-c4ccccn4)nc4ccccc43)C(C)C)o2)c1
InChIInChI=1S/C36H41N5O6.C31H36N6O4.C29H28N6O3.C22H27N5O5.C20H23N5O5/c1-23(2)31(33(43)34-40-39-30(47-34)20-27-16-12-13-25(5)19-27)37-29(42)21-41(28-17-10-7-11-18-28)35(44)32(24(3)4)38-36(45)46-22-26-14-8-6-9-15-26;1-19(2)28(30(40)31-36-35-26(41-31)16-21-8-6-7-20(3)15-21)34-25(38)18-37-24-10-5-4-9-23(24)29(33-17-27(37)39)22-11-13-32-14-12-22;1-18(2)26(27(37)29-34-33-25(38-29)16-20-10-8-9-19(3)15-20)32-24(36)17-35-23-13-5-4-11-21(23)31-28(35)22-12-6-7-14-30-22;1-12(2)17(23-15(28)11-27-20(30)22(4,5)24-21(27)31)18(29)19-26-25-16(32-19)10-14-8-6-7-13(3)9-14;1-11(2)17(22-14(26)10-25-16(27)9-21-20(25)29)18(28)19-24-23-15(30-19)8-13-6-4-5-12(3)7-13/h6-19,23-24,31-32H,20-22H2,1-5H3,(H,37,42)(H,38,45);4-10,15,19,22,28,32H,11-14,16-18H2,1-3H3,(H,34,38);4-15,18,26H,16-17H2,1-3H3,(H,32,36);6-9,12,17H,10-11H2,1-5H3,(H,23,28)(H,24,31);4-7,11,17H,8-10H2,1-3H3,(H,21,29)(H,22,26)/t31-,32-;28-;26-;2*17-/m00000/s1
InChIKeyMGYQRSWEDYOFFM-GARNMSMISA-N
MW2559.92 g/mol
LogP15.28
Rot. Bonds48

About benzyl N-[(2S)-3-methyl-1-(N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]anilino)-1-oxobutan-2-yl]carbamate;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-piperidin-4-yl-3H-1,4-benzodiazepin-1-yl)acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide

benzyl N-[(2S)-3-methyl-1-(N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]anilino)-1-oxobutan-2-yl]carbamate;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-piperidin-4-yl-3H-1,4-benzodiazepin-1-yl)acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide (PubChem CID 159563888) has the molecular formula C138H155N27O23 and a molecular weight of 2559.92 g/mol. Its IUPAC name is benzyl N-[(2S)-3-methyl-1-(N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]anilino)-1-oxobutan-2-yl]carbamate;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-piperidin-4-yl-3H-1,4-benzodiazepin-1-yl)acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound Namebenzyl N-[(2S)-3-methyl-1-(N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]anilino)-1-oxobutan-2-yl]carbamate;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-piperidin-4-yl-3H-1,4-benzodiazepin-1-yl)acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
PubChem CID159563888
Molecular FormulaC138H155N27O23
Molecular Weight2559.92 g/mol
Exact Mass2558.18
IUPAC Namebenzyl N-[(2S)-3-methyl-1-(N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]anilino)-1-oxobutan-2-yl]carbamate;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-piperidin-4-yl-3H-1,4-benzodiazepin-1-yl)acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
SMILESCc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN(C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)c3ccccc3)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CN=C(C4CCNCC4)c4ccccc43)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CNC3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)NC(C)(C)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)Cn3c(-c4ccccn4)nc4ccccc43)C(C)C)o2)c1
InChIInChI=1S/C36H41N5O6.C31H36N6O4.C29H28N6O3.C22H27N5O5.C20H23N5O5/c1-23(2)31(33(43)34-40-39-30(47-34)20-27-16-12-13-25(5)19-27)37-29(42)21-41(28-17-10-7-11-18-28)35(44)32(24(3)4)38-36(45)46-22-26-14-8-6-9-15-26;1-19(2)28(30(40)31-36-35-26(41-31)16-21-8-6-7-20(3)15-21)34-25(38)18-37-24-10-5-4-9-23(24)29(33-17-27(37)39)22-11-13-32-14-12-22;1-18(2)26(27(37)29-34-33-25(38-29)16-20-10-8-9-19(3)15-20)32-24(36)17-35-23-13-5-4-11-21(23)31-28(35)22-12-6-7-14-30-22;1-12(2)17(23-15(28)11-27-20(30)22(4,5)24-21(27)31)18(29)19-26-25-16(32-19)10-14-8-6-7-13(3)9-14;1-11(2)17(22-14(26)10-25-16(27)9-21-20(25)29)18(28)19-24-23-15(30-19)8-13-6-4-5-12(3)7-13/h6-19,23-24,31-32H,20-22H2,1-5H3,(H,37,42)(H,38,45);4-10,15,19,22,28,32H,11-14,16-18H2,1-3H3,(H,34,38);4-15,18,26H,16-17H2,1-3H3,(H,32,36);6-9,12,17H,10-11H2,1-5H3,(H,23,28)(H,24,31);4-7,11,17H,8-10H2,1-3H3,(H,21,29)(H,22,26)/t31-,32-;28-;26-;2*17-/m00000/s1
InChIKeyMGYQRSWEDYOFFM-GARNMSMISA-N
XLogP15.28
TPSA658.32 Ų
H-Bond Donors9
H-Bond Acceptors38
Rotatable Bonds48
Heavy Atoms188
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002559.92
LogP ≤ 515.28
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze benzyl N-[(2S)-3-methyl-1-(N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]anilino)-1-oxobutan-2-yl]carbamate;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-piperidin-4-yl-3H-1,4-benzodiazepin-1-yl)acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-3-methyl-1-(N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]anilino)-1-oxobutan-2-yl]carbamate;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-piperidin-4-yl-3H-1,4-benzodiazepin-1-yl)acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The IUPAC name of benzyl N-[(2S)-3-methyl-1-(N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]anilino)-1-oxobutan-2-yl]carbamate;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-piperidin-4-yl-3H-1,4-benzodiazepin-1-yl)acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide (CID 159563888) is benzyl N-[(2S)-3-methyl-1-(N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]anilino)-1-oxobutan-2-yl]carbamate;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-piperidin-4-yl-3H-1,4-benzodiazepin-1-yl)acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for benzyl N-[(2S)-3-methyl-1-(N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]anilino)-1-oxobutan-2-yl]carbamate;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-piperidin-4-yl-3H-1,4-benzodiazepin-1-yl)acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The canonical SMILES for benzyl N-[(2S)-3-methyl-1-(N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]anilino)-1-oxobutan-2-yl]carbamate;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-piperidin-4-yl-3H-1,4-benzodiazepin-1-yl)acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide is Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN(C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)c3ccccc3)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CN=C(C4CCNCC4)c4ccccc43)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CNC3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)NC(C)(C)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)Cn3c(-c4ccccn4)nc4ccccc43)C(C)C)o2)c1.
What is the InChIKey of benzyl N-[(2S)-3-methyl-1-(N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]anilino)-1-oxobutan-2-yl]carbamate;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-piperidin-4-yl-3H-1,4-benzodiazepin-1-yl)acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The InChIKey is MGYQRSWEDYOFFM-GARNMSMISA-N. The full InChI is InChI=1S/C36H41N5O6.C31H36N6O4.C29H28N6O3.C22H27N5O5.C20H23N5O5/c1-23(2)31(33(43)34-40-39-30(47-34)20-27-16-12-13-25(5)19-27)37-29(42)21-41(28-17-10-7-11-18-28)35(44)32(24(3)4)38-36(45)46-22-26-14-8-6-9-15-26;1-19(2)28(30(40)31-36-35-26(41-31)16-21-8-6-7-20(3)15-21)34-25(38)18-37-24-10-5-4-9-23(24)29(33-17-27(37)39)22-11-13-32-14-12-22;1-18(2)26(27(37)29-34-33-25(38-29)16-20-10-8-9-19(3)15-20)32-24(36)17-35-23-13-5-4-11-21(23)31-28(35)22-12-6-7-14-30-22;1-12(2)17(23-15(28)11-27-20(30)22(4,5)24-21(27)31)18(29)19-26-25-16(32-19)10-14-8-6-7-13(3)9-14;1-11(2)17(22-14(26)10-25-16(27)9-21-20(25)29)18(28)19-24-23-15(30-19)8-13-6-4-5-12(3)7-13/h6-19,23-24,31-32H,20-22H2,1-5H3,(H,37,42)(H,38,45);4-10,15,19,22,28,32H,11-14,16-18H2,1-3H3,(H,34,38);4-15,18,26H,16-17H2,1-3H3,(H,32,36);6-9,12,17H,10-11H2,1-5H3,(H,23,28)(H,24,31);4-7,11,17H,8-10H2,1-3H3,(H,21,29)(H,22,26)/t31-,32-;28-;26-;2*17-/m00000/s1.
What are the key properties of benzyl N-[(2S)-3-methyl-1-(N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]anilino)-1-oxobutan-2-yl]carbamate;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-piperidin-4-yl-3H-1,4-benzodiazepin-1-yl)acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
benzyl N-[(2S)-3-methyl-1-(N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]anilino)-1-oxobutan-2-yl]carbamate;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-piperidin-4-yl-3H-1,4-benzodiazepin-1-yl)acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide has a molecular weight of 2559.92 g/mol, XLogP of 15.28, 48 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-3-methyl-1-(N-[2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]anilino)-1-oxobutan-2-yl]carbamate;2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-oxo-5-piperidin-4-yl-3H-1,4-benzodiazepin-1-yl)acetamide;N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 159563888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).