benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-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;pyridin-4-ylmethyl 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

C169H198F3N27O34 — CID 158219198

About benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-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;pyridin-4-ylmethyl 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 N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-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;pyridin-4-ylmethyl 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 158219198) has the molecular formula C169H198F3N27O34 and a molecular weight of 3208.59 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-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;pyridin-4-ylmethyl 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 Name: benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-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;pyridin-4-ylmethyl 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: 158219198
• Molecular Formula: C169H198F3N27O34
• Molecular Weight: 3208.59 g/mol
• Exact Mass: 3206.45
• IUPAC Name: benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-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;pyridin-4-ylmethyl 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
• SMILES: CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1nnc(Cc2ccc3c(c2)OCO3)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1noc(Cc2ccc3c(c2)OCO3)n1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccncc1)C(C)C)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)[C@H](Cc4ccccc4)N(CCN4CCOCC4)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)C(C)C)o2)c1
• InChI: InChI=1S/C38H43N5O6.C33H40N6O6.2C33H39N5O8.C32H37F3N6O6/c1-23(2)32(34(44)36-42-41-31(49-36)19-27-15-11-12-25(5)18-27)39-35(45)30-20-28-16-9-10-17-29(28)21-43(30)37(46)33(24(3)4)40-38(47)48-22-26-13-7-6-8-14-26;1-22(2)29(30(41)31-36-35-28(45-31)20-25-11-7-8-23(3)18-25)34-27(40)21-39-32(42)26(19-24-9-5-4-6-10-24)38(33(39)43)13-12-37-14-16-44-17-15-37;1-19(2)27(29(39)30-34-26(46-37-30)16-22-12-13-24-25(15-22)45-18-44-24)35-31(40)23-11-8-14-38(23)32(41)28(20(3)4)36-33(42)43-17-21-9-6-5-7-10-21;1-19(2)27(29(39)31-37-36-26(46-31)16-22-12-13-24-25(15-22)45-18-44-24)34-30(40)23-11-8-14-38(23)32(41)28(20(3)4)35-33(42)43-17-21-9-6-5-7-10-21;1-18(2)25(27(42)28-37-24(47-40-28)16-21-7-5-8-22(15-21)32(33,34)35)38-29(43)23-9-6-14-41(23)30(44)26(19(3)4)39-31(45)46-17-20-10-12-36-13-11-20/h6-18,23-24,30,32-33H,19-22H2,1-5H3,(H,39,45)(H,40,47);4-11,18,22,26,29H,12-17,19-21H2,1-3H3,(H,34,40);5-7,9-10,12-13,15,19-20,23,27-28H,8,11,14,16-18H2,1-4H3,(H,35,40)(H,36,42);5-7,9-10,12-13,15,19-20,23,27-28H,8,11,14,16-18H2,1-4H3,(H,34,40)(H,35,42);5,7-8,10-13,15,18-19,23,25-26H,6,9,14,16-17H2,1-4H3,(H,38,43)(H,39,45)/t30-,32-,33-;26-,29-;2*23-,27-,28-;23-,25-,26-/m00000/s1
• InChIKey: GDANOGRSMRZJED-WJXMZZJOSA-N
• XLogP: 19.35
• TPSA: 762.91 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 46
• Rotatable Bonds: 61
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3208.59
LogP ≤ 5	19.35
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-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;pyridin-4-ylmethyl 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 N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-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;pyridin-4-ylmethyl 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 158219198) is benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-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;pyridin-4-ylmethyl 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 N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-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;pyridin-4-ylmethyl 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 N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-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;pyridin-4-ylmethyl 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)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1nnc(Cc2ccc3c(c2)OCO3)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1noc(Cc2ccc3c(c2)OCO3)n1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccncc1)C(C)C)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)[C@H](Cc4ccccc4)N(CCN4CCOCC4)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)C(C)C)o2)c1.

What is the InChIKey of benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-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;pyridin-4-ylmethyl 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 GDANOGRSMRZJED-WJXMZZJOSA-N. The full InChI is InChI=1S/C38H43N5O6.C33H40N6O6.2C33H39N5O8.C32H37F3N6O6/c1-23(2)32(34(44)36-42-41-31(49-36)19-27-15-11-12-25(5)18-27)39-35(45)30-20-28-16-9-10-17-29(28)21-43(30)37(46)33(24(3)4)40-38(47)48-22-26-13-7-6-8-14-26;1-22(2)29(30(41)31-36-35-28(45-31)20-25-11-7-8-23(3)18-25)34-27(40)21-39-32(42)26(19-24-9-5-4-6-10-24)38(33(39)43)13-12-37-14-16-44-17-15-37;1-19(2)27(29(39)30-34-26(46-37-30)16-22-12-13-24-25(15-22)45-18-44-24)35-31(40)23-11-8-14-38(23)32(41)28(20(3)4)36-33(42)43-17-21-9-6-5-7-10-21;1-19(2)27(29(39)31-37-36-26(46-31)16-22-12-13-24-25(15-22)45-18-44-24)34-30(40)23-11-8-14-38(23)32(41)28(20(3)4)35-33(42)43-17-21-9-6-5-7-10-21;1-18(2)25(27(42)28-37-24(47-40-28)16-21-7-5-8-22(15-21)32(33,34)35)38-29(43)23-9-6-14-41(23)30(44)26(19(3)4)39-31(45)46-17-20-10-12-36-13-11-20/h6-18,23-24,30,32-33H,19-22H2,1-5H3,(H,39,45)(H,40,47);4-11,18,22,26,29H,12-17,19-21H2,1-3H3,(H,34,40);5-7,9-10,12-13,15,19-20,23,27-28H,8,11,14,16-18H2,1-4H3,(H,35,40)(H,36,42);5-7,9-10,12-13,15,19-20,23,27-28H,8,11,14,16-18H2,1-4H3,(H,34,40)(H,35,42);5,7-8,10-13,15,18-19,23,25-26H,6,9,14,16-17H2,1-4H3,(H,38,43)(H,39,45)/t30-,32-,33-;26-,29-;2*23-,27-,28-;23-,25-,26-/m00000/s1.

What are the key properties of benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-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;pyridin-4-ylmethyl 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 N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-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;pyridin-4-ylmethyl 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 3208.59 g/mol, XLogP of 19.35, 61 rotatable bonds, 9 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;benzyl N-[(2S)-3-methyl-1-[(3S)-3-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxobutan-2-yl]carbamate;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-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;pyridin-4-ylmethyl 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 158219198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).