(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylic acid;methyl (2S)-1-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxopyrrolidine-2-carboxylate;methyl (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylate

C172H223N29O36 — CID 160651530

About (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylic acid;methyl (2S)-1-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxopyrrolidine-2-carboxylate;methyl (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylate

(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylic acid;methyl (2S)-1-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxopyrrolidine-2-carboxylate;methyl (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylate (PubChem CID 160651530) has the molecular formula C172H223N29O36 and a molecular weight of 3272.84 g/mol. Its IUPAC name is (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylic acid;methyl (2S)-1-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxopyrrolidine-2-carboxylate;methyl (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylate.

Molecular Properties

• Compound Name: (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylic acid;methyl (2S)-1-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxopyrrolidine-2-carboxylate;methyl (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylate
• PubChem CID: 160651530
• Molecular Formula: C172H223N29O36
• Molecular Weight: 3272.84 g/mol
• Exact Mass: 3270.65
• IUPAC Name: (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylic acid;methyl (2S)-1-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxopyrrolidine-2-carboxylate;methyl (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylate
• SMILES: CC(C)(C)C(NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)N1CC2(CC(=O)c3ccccc3O2)C[C@H]1C(=O)O.CCCC(NC(=O)[C@@H]1CC2(CC(=O)c3ccccc3O2)CN1C(=O)C(NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1.CCCC(NC(=O)[C@@H]1CC2(CC(=O)c3ccccc3O2)CN1C(=O)C(NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(O)C(=O)NC1CC1.COC(=O)[C@@H]1CC(=O)CN1C(=O)C(NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C.COC(=O)[C@@H]1CC2(CC(=O)c3ccccc3O2)CN1C(=O)C(NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C
• InChI: InChI=1S/C41H55N7O8.C41H53N7O8.C33H41N5O7.C32H39N5O7.C25H35N5O6/c2*1-5-11-27(33(50)38(54)44-25-16-17-25)45-36(52)29-20-41(21-30(49)26-14-9-10-15-31(26)56-41)23-48(29)39(55)34(40(2,3)4)47-37(53)32(24-12-7-6-8-13-24)46-35(51)28-22-42-18-19-43-28;1-32(2,3)27(37-29(41)26(20-10-6-5-7-11-20)36-28(40)22-18-34-14-15-35-22)30(42)38-19-33(16-23(38)31(43)44-4)17-24(39)21-12-8-9-13-25(21)45-33;1-31(2,3)26(36-28(40)25(19-9-5-4-6-10-19)35-27(39)21-17-33-13-14-34-21)29(41)37-18-32(15-22(37)30(42)43)16-23(38)20-11-7-8-12-24(20)44-32;1-25(2,3)20(23(34)30-14-16(31)12-18(30)24(35)36-4)29-22(33)19(15-8-6-5-7-9-15)28-21(32)17-13-26-10-11-27-17/h9-10,14-15,18-19,22,24-25,27,29,32-34,50H,5-8,11-13,16-17,20-21,23H2,1-4H3,(H,44,54)(H,45,52)(H,46,51)(H,47,53);9-10,14-15,18-19,22,24-25,27,29,32,34H,5-8,11-13,16-17,20-21,23H2,1-4H3,(H,44,54)(H,45,52)(H,46,51)(H,47,53);8-9,12-15,18,20,23,26-27H,5-7,10-11,16-17,19H2,1-4H3,(H,36,40)(H,37,41);7-8,11-14,17,19,22,25-26H,4-6,9-10,15-16,18H2,1-3H3,(H,35,39)(H,36,40)(H,42,43);10-11,13,15,18-20H,5-9,12,14H2,1-4H3,(H,28,32)(H,29,33)/t27?,29-,32-,33?,34?,41?;27?,29-,32-,34?,41?;23-,26-,27?,33?;22-,25-,26?,32?;18-,19-,20?/m00000/s1
• InChIKey: RKMHGMBOOFKNOH-FOBYDILZSA-N
• XLogP: 12.11
• TPSA: 887.32 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 45
• Rotatable Bonds: 47
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3272.84
LogP ≤ 5	12.11
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylic acid;methyl (2S)-1-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxopyrrolidine-2-carboxylate;methyl (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylate?

The IUPAC name of (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylic acid;methyl (2S)-1-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxopyrrolidine-2-carboxylate;methyl (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylate (CID 160651530) is (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylic acid;methyl (2S)-1-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxopyrrolidine-2-carboxylate;methyl (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylate.

What is the SMILES notation for (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylic acid;methyl (2S)-1-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxopyrrolidine-2-carboxylate;methyl (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylate?

The canonical SMILES for (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylic acid;methyl (2S)-1-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxopyrrolidine-2-carboxylate;methyl (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylate is CC(C)(C)C(NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)N1CC2(CC(=O)c3ccccc3O2)C[C@H]1C(=O)O.CCCC(NC(=O)[C@@H]1CC2(CC(=O)c3ccccc3O2)CN1C(=O)C(NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1.CCCC(NC(=O)[C@@H]1CC2(CC(=O)c3ccccc3O2)CN1C(=O)C(NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(O)C(=O)NC1CC1.COC(=O)[C@@H]1CC(=O)CN1C(=O)C(NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C.COC(=O)[C@@H]1CC2(CC(=O)c3ccccc3O2)CN1C(=O)C(NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C.

What is the InChIKey of (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylic acid;methyl (2S)-1-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxopyrrolidine-2-carboxylate;methyl (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylate?

The InChIKey is RKMHGMBOOFKNOH-FOBYDILZSA-N. The full InChI is InChI=1S/C41H55N7O8.C41H53N7O8.C33H41N5O7.C32H39N5O7.C25H35N5O6/c2*1-5-11-27(33(50)38(54)44-25-16-17-25)45-36(52)29-20-41(21-30(49)26-14-9-10-15-31(26)56-41)23-48(29)39(55)34(40(2,3)4)47-37(53)32(24-12-7-6-8-13-24)46-35(51)28-22-42-18-19-43-28;1-32(2,3)27(37-29(41)26(20-10-6-5-7-11-20)36-28(40)22-18-34-14-15-35-22)30(42)38-19-33(16-23(38)31(43)44-4)17-24(39)21-12-8-9-13-25(21)45-33;1-31(2,3)26(36-28(40)25(19-9-5-4-6-10-19)35-27(39)21-17-33-13-14-34-21)29(41)37-18-32(15-22(37)30(42)43)16-23(38)20-11-7-8-12-24(20)44-32;1-25(2,3)20(23(34)30-14-16(31)12-18(30)24(35)36-4)29-22(33)19(15-8-6-5-7-9-15)28-21(32)17-13-26-10-11-27-17/h9-10,14-15,18-19,22,24-25,27,29,32-34,50H,5-8,11-13,16-17,20-21,23H2,1-4H3,(H,44,54)(H,45,52)(H,46,51)(H,47,53);9-10,14-15,18-19,22,24-25,27,29,32,34H,5-8,11-13,16-17,20-21,23H2,1-4H3,(H,44,54)(H,45,52)(H,46,51)(H,47,53);8-9,12-15,18,20,23,26-27H,5-7,10-11,16-17,19H2,1-4H3,(H,36,40)(H,37,41);7-8,11-14,17,19,22,25-26H,4-6,9-10,15-16,18H2,1-3H3,(H,35,39)(H,36,40)(H,42,43);10-11,13,15,18-20H,5-9,12,14H2,1-4H3,(H,28,32)(H,29,33)/t27?,29-,32-,33?,34?,41?;27?,29-,32-,34?,41?;23-,26-,27?,33?;22-,25-,26?,32?;18-,19-,20?/m00000/s1.

What are the key properties of (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylic acid;methyl (2S)-1-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxopyrrolidine-2-carboxylate;methyl (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylate?

(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylic acid;methyl (2S)-1-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxopyrrolidine-2-carboxylate;methyl (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylate has a molecular weight of 3272.84 g/mol, XLogP of 12.11, 47 rotatable bonds, 16 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxamide;(2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylic acid;methyl (2S)-1-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxopyrrolidine-2-carboxylate;methyl (2'S)-1'-[2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-4-oxospiro[3H-chromene-2,4'-pyrrolidine]-2'-carboxylate is sourced from PubChem (CID 160651530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).