N-[(2S)-1-[(2S)-2-[5-[4-[2-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-6-oxo-1H-pyrimidin-4-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[2-[2-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;methyl N-[(1R)-2-[(2S)-2-[[2-[2-[4-[[(2S)-1-[(2R)-2-[(2-hydroxyacetyl)amino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethynyl]thieno[3,2-b]thiophen-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

C175H178N34O24S6 — CID 159130531

About N-[(2S)-1-[(2S)-2-[5-[4-[2-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-6-oxo-1H-pyrimidin-4-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[2-[2-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;methyl N-[(1R)-2-[(2S)-2-[[2-[2-[4-[[(2S)-1-[(2R)-2-[(2-hydroxyacetyl)amino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethynyl]thieno[3,2-b]thiophen-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

N-[(2S)-1-[(2S)-2-[5-[4-[2-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-6-oxo-1H-pyrimidin-4-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[2-[2-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;methyl N-[(1R)-2-[(2S)-2-[[2-[2-[4-[[(2S)-1-[(2R)-2-[(2-hydroxyacetyl)amino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethynyl]thieno[3,2-b]thiophen-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate (PubChem CID 159130531) has the molecular formula C175H178N34O24S6 and a molecular weight of 3333.96 g/mol. Its IUPAC name is N-[(2S)-1-[(2S)-2-[5-[4-[2-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-6-oxo-1H-pyrimidin-4-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[2-[2-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;methyl N-[(1R)-2-[(2S)-2-[[2-[2-[4-[[(2S)-1-[(2R)-2-[(2-hydroxyacetyl)amino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethynyl]thieno[3,2-b]thiophen-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate.

Molecular Properties

• Compound Name: N-[(2S)-1-[(2S)-2-[5-[4-[2-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-6-oxo-1H-pyrimidin-4-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[2-[2-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;methyl N-[(1R)-2-[(2S)-2-[[2-[2-[4-[[(2S)-1-[(2R)-2-[(2-hydroxyacetyl)amino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethynyl]thieno[3,2-b]thiophen-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
• PubChem CID: 159130531
• Molecular Formula: C175H178N34O24S6
• Molecular Weight: 3333.96 g/mol
• Exact Mass: 3331.21
• IUPAC Name: N-[(2S)-1-[(2S)-2-[5-[4-[2-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-6-oxo-1H-pyrimidin-4-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[2-[2-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;methyl N-[(1R)-2-[(2S)-2-[[2-[2-[4-[[(2S)-1-[(2R)-2-[(2-hydroxyacetyl)amino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethynyl]thieno[3,2-b]thiophen-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
• SMILES: CC(=O)N[C@@H](C(=O)N1CCCC1C1=NC=C(c2nn3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@H](NC(=O)CO)c6ccccc6)[nH]5)cc4)nc3s2)C1)c1ccccc1.CC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2cc3sc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@H](NC(=O)CO)c6ccccc6)[nH]5)cc4)cc3s2)cc(=O)[nH]1)c1ccccc1.CC(=O)N[C@H](C(=O)N1CCCC1C1=NC=C(c2nn3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)cc4)nc3s2)C1)C(C)C.COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2sc(C#Cc3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@H](NC(=O)CO)c4ccccc4)cc3)cc2s1)c1ccccc1
• InChI: InChI=1S/C47H44N8O6S2.C45H44N10O5S.C44H42N6O8S2.C39H48N10O5S/c1-27(57)49-42(30-10-4-2-5-11-30)46(60)55-21-9-15-35(55)45-50-32(22-40(58)53-45)37-24-39-38(63-37)23-36(62-39)29-18-16-28(17-19-29)33-25-48-44(51-33)34-14-8-20-54(34)47(61)43(52-41(59)26-56)31-12-6-3-7-13-31;1-27(57)48-39(30-10-4-2-5-11-30)43(59)53-20-8-14-36(53)33-22-32(23-46-33)42-52-55-25-35(50-45(55)61-42)29-18-16-28(17-19-29)34-24-47-41(49-34)37-15-9-21-54(37)44(60)40(51-38(58)26-56)31-12-6-3-7-13-31;1-58-44(57)48-39(29-12-6-3-7-13-29)43(56)50-23-9-15-33(50)41(54)47-37-25-35-34(60-37)24-31(59-35)21-18-27-16-19-30(20-17-27)45-40(53)32-14-8-22-49(32)42(55)38(46-36(52)26-51)28-10-4-2-5-11-28;1-21(2)33(42-23(5)51)37(53)47-14-6-8-30(47)27-16-26(17-40-27)36-46-49-19-29(44-39(49)55-36)25-12-10-24(11-13-25)28-18-41-35(43-28)31-9-7-15-48(31)38(54)34(22(3)4)45-32(52)20-50/h2-7,10-13,16-19,22-25,34-35,42-43,56H,8-9,14-15,20-21,26H2,1H3,(H,48,51)(H,49,57)(H,52,59)(H,50,53,58);2-7,10-13,16-19,23-25,36-37,39-40,56H,8-9,14-15,20-22,26H2,1H3,(H,47,49)(H,48,57)(H,51,58);2-7,10-13,16-17,19-20,24-25,32-33,38-39,51H,8-9,14-15,22-23,26H2,1H3,(H,45,53)(H,46,52)(H,47,54)(H,48,57);10-13,17-19,21-22,30-31,33-34,50H,6-9,14-16,20H2,1-5H3,(H,41,43)(H,42,51)(H,45,52)/t34-,35-,42+,43+;36?,37-,39+,40+;32-,33-,38+,39+;30?,31-,33-,34-/m0000/s1
• InChIKey: KGVHPZRGEKBSGT-TWGQKMJCSA-N
• XLogP: 21.39
• TPSA: 760.52 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 42
• Rotatable Bonds: 47
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3333.96
LogP ≤ 5	21.39
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2S)-2-[5-[4-[2-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-6-oxo-1H-pyrimidin-4-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[2-[2-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;methyl N-[(1R)-2-[(2S)-2-[[2-[2-[4-[[(2S)-1-[(2R)-2-[(2-hydroxyacetyl)amino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethynyl]thieno[3,2-b]thiophen-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?

The IUPAC name of N-[(2S)-1-[(2S)-2-[5-[4-[2-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-6-oxo-1H-pyrimidin-4-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[2-[2-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;methyl N-[(1R)-2-[(2S)-2-[[2-[2-[4-[[(2S)-1-[(2R)-2-[(2-hydroxyacetyl)amino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethynyl]thieno[3,2-b]thiophen-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate (CID 159130531) is N-[(2S)-1-[(2S)-2-[5-[4-[2-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-6-oxo-1H-pyrimidin-4-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[2-[2-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;methyl N-[(1R)-2-[(2S)-2-[[2-[2-[4-[[(2S)-1-[(2R)-2-[(2-hydroxyacetyl)amino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethynyl]thieno[3,2-b]thiophen-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate.

What is the SMILES notation for N-[(2S)-1-[(2S)-2-[5-[4-[2-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-6-oxo-1H-pyrimidin-4-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[2-[2-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;methyl N-[(1R)-2-[(2S)-2-[[2-[2-[4-[[(2S)-1-[(2R)-2-[(2-hydroxyacetyl)amino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethynyl]thieno[3,2-b]thiophen-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?

The canonical SMILES for N-[(2S)-1-[(2S)-2-[5-[4-[2-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-6-oxo-1H-pyrimidin-4-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[2-[2-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;methyl N-[(1R)-2-[(2S)-2-[[2-[2-[4-[[(2S)-1-[(2R)-2-[(2-hydroxyacetyl)amino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethynyl]thieno[3,2-b]thiophen-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate is CC(=O)N[C@@H](C(=O)N1CCCC1C1=NC=C(c2nn3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@H](NC(=O)CO)c6ccccc6)[nH]5)cc4)nc3s2)C1)c1ccccc1.CC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2cc3sc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@H](NC(=O)CO)c6ccccc6)[nH]5)cc4)cc3s2)cc(=O)[nH]1)c1ccccc1.CC(=O)N[C@H](C(=O)N1CCCC1C1=NC=C(c2nn3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)cc4)nc3s2)C1)C(C)C.COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2sc(C#Cc3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@H](NC(=O)CO)c4ccccc4)cc3)cc2s1)c1ccccc1.

What is the InChIKey of N-[(2S)-1-[(2S)-2-[5-[4-[2-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-6-oxo-1H-pyrimidin-4-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[2-[2-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;methyl N-[(1R)-2-[(2S)-2-[[2-[2-[4-[[(2S)-1-[(2R)-2-[(2-hydroxyacetyl)amino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethynyl]thieno[3,2-b]thiophen-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?

The InChIKey is KGVHPZRGEKBSGT-TWGQKMJCSA-N. The full InChI is InChI=1S/C47H44N8O6S2.C45H44N10O5S.C44H42N6O8S2.C39H48N10O5S/c1-27(57)49-42(30-10-4-2-5-11-30)46(60)55-21-9-15-35(55)45-50-32(22-40(58)53-45)37-24-39-38(63-37)23-36(62-39)29-18-16-28(17-19-29)33-25-48-44(51-33)34-14-8-20-54(34)47(61)43(52-41(59)26-56)31-12-6-3-7-13-31;1-27(57)48-39(30-10-4-2-5-11-30)43(59)53-20-8-14-36(53)33-22-32(23-46-33)42-52-55-25-35(50-45(55)61-42)29-18-16-28(17-19-29)34-24-47-41(49-34)37-15-9-21-54(37)44(60)40(51-38(58)26-56)31-12-6-3-7-13-31;1-58-44(57)48-39(29-12-6-3-7-13-29)43(56)50-23-9-15-33(50)41(54)47-37-25-35-34(60-37)24-31(59-35)21-18-27-16-19-30(20-17-27)45-40(53)32-14-8-22-49(32)42(55)38(46-36(52)26-51)28-10-4-2-5-11-28;1-21(2)33(42-23(5)51)37(53)47-14-6-8-30(47)27-16-26(17-40-27)36-46-49-19-29(44-39(49)55-36)25-12-10-24(11-13-25)28-18-41-35(43-28)31-9-7-15-48(31)38(54)34(22(3)4)45-32(52)20-50/h2-7,10-13,16-19,22-25,34-35,42-43,56H,8-9,14-15,20-21,26H2,1H3,(H,48,51)(H,49,57)(H,52,59)(H,50,53,58);2-7,10-13,16-19,23-25,36-37,39-40,56H,8-9,14-15,20-22,26H2,1H3,(H,47,49)(H,48,57)(H,51,58);2-7,10-13,16-17,19-20,24-25,32-33,38-39,51H,8-9,14-15,22-23,26H2,1H3,(H,45,53)(H,46,52)(H,47,54)(H,48,57);10-13,17-19,21-22,30-31,33-34,50H,6-9,14-16,20H2,1-5H3,(H,41,43)(H,42,51)(H,45,52)/t34-,35-,42+,43+;36?,37-,39+,40+;32-,33-,38+,39+;30?,31-,33-,34-/m0000/s1.

What are the key properties of N-[(2S)-1-[(2S)-2-[5-[4-[2-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-6-oxo-1H-pyrimidin-4-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[2-[2-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;methyl N-[(1R)-2-[(2S)-2-[[2-[2-[4-[[(2S)-1-[(2R)-2-[(2-hydroxyacetyl)amino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethynyl]thieno[3,2-b]thiophen-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?

N-[(2S)-1-[(2S)-2-[5-[4-[2-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-6-oxo-1H-pyrimidin-4-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[2-[2-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;methyl N-[(1R)-2-[(2S)-2-[[2-[2-[4-[[(2S)-1-[(2R)-2-[(2-hydroxyacetyl)amino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethynyl]thieno[3,2-b]thiophen-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate has a molecular weight of 3333.96 g/mol, XLogP of 21.39, 47 rotatable bonds, 18 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[(2S)-2-[5-[4-[2-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-6-oxo-1H-pyrimidin-4-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[2-[2-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;methyl N-[(1R)-2-[(2S)-2-[[2-[2-[4-[[(2S)-1-[(2R)-2-[(2-hydroxyacetyl)amino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethynyl]thieno[3,2-b]thiophen-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate is sourced from PubChem (CID 159130531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).