tert-butyl (3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;(3S)-3-[[(2S)-2-[[(2S)-3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-2-oxo-4-phenylbutanoic acid;(3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid;(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid;2-(thiolan-1-ylidene)acetonitrile

C151H163N15O31S3 — CID 161264154

About tert-butyl (3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;(3S)-3-[[(2S)-2-[[(2S)-3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-2-oxo-4-phenylbutanoic acid;(3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid;(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid;2-(thiolan-1-ylidene)acetonitrile

tert-butyl (3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;(3S)-3-[[(2S)-2-[[(2S)-3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-2-oxo-4-phenylbutanoic acid;(3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid;(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid;2-(thiolan-1-ylidene)acetonitrile (PubChem CID 161264154) has the molecular formula C151H163N15O31S3 and a molecular weight of 2780.24 g/mol. Its IUPAC name is tert-butyl (3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;(3S)-3-[[(2S)-2-[[(2S)-3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-2-oxo-4-phenylbutanoic acid;(3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid;(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid;2-(thiolan-1-ylidene)acetonitrile.

Molecular Properties

• Compound Name: tert-butyl (3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;(3S)-3-[[(2S)-2-[[(2S)-3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-2-oxo-4-phenylbutanoic acid;(3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid;(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid;2-(thiolan-1-ylidene)acetonitrile
• PubChem CID: 161264154
• Molecular Formula: C151H163N15O31S3
• Molecular Weight: 2780.24 g/mol
• Exact Mass: 2778.08
• IUPAC Name: tert-butyl (3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;(3S)-3-[[(2S)-2-[[(2S)-3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-2-oxo-4-phenylbutanoic acid;(3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid;(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid;2-(thiolan-1-ylidene)acetonitrile
• SMILES: C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)O.C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(C#N)=S1CCCC1.C[C@H](NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(C#N)=S1CCCC1.C[C@H](NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)O.N#CC=S1CCCC1
• InChI: InChI=1S/C41H46N4O7S.C37H38N4O7S.C35H39N3O8.C32H31N3O9.C6H9NS/c1-26(38(48)44-33(22-27-14-6-5-7-15-27)37(47)35(24-42)53-20-12-13-21-53)43-39(49)34(23-36(46)52-41(2,3)4)45-40(50)51-25-32-30-18-10-8-16-28(30)29-17-9-11-19-31(29)32;1-23(35(45)40-30(19-24-11-3-2-4-12-24)34(44)32(21-38)49-17-9-10-18-49)39-36(46)31(20-33(42)43)41-37(47)48-22-29-27-15-7-5-13-25(27)26-14-6-8-16-28(26)29;1-21(31(40)37-29(33(42)43)18-22-12-6-5-7-13-22)36-32(41)28(19-30(39)46-35(2,3)4)38-34(44)45-20-27-25-16-10-8-14-23(25)24-15-9-11-17-26(24)27;1-18(29(39)34-25(28(38)31(41)42)15-19-9-3-2-4-10-19)33-30(40)26(16-27(36)37)35-32(43)44-17-24-22-13-7-5-11-20(22)21-12-6-8-14-23(21)24;7-3-6-8-4-1-2-5-8/h5-11,14-19,26,32-34H,12-13,20-23,25H2,1-4H3,(H,43,49)(H,44,48)(H,45,50);2-8,11-16,23,29-31H,9-10,17-20,22H2,1H3,(H,39,46)(H,40,45)(H,41,47)(H,42,43);5-17,21,27-29H,18-20H2,1-4H3,(H,36,41)(H,37,40)(H,38,44)(H,42,43);2-14,18,24-26H,15-17H2,1H3,(H,33,40)(H,34,39)(H,35,43)(H,36,37)(H,41,42);6H,1-2,4-5H2/t26-,33-,34-;23-,30-,31-;21-,28-,29-;18-,25-,26-;/m0000./s1
• InChIKey: VCYIXHWAAQQZAF-XDNGPXLSSA-N
• XLogP: 16.69
• TPSA: 710.50 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 30
• Rotatable Bonds: 51
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2780.24
LogP ≤ 5	16.69
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;(3S)-3-[[(2S)-2-[[(2S)-3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-2-oxo-4-phenylbutanoic acid;(3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid;(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid;2-(thiolan-1-ylidene)acetonitrile?

The IUPAC name of tert-butyl (3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;(3S)-3-[[(2S)-2-[[(2S)-3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-2-oxo-4-phenylbutanoic acid;(3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid;(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid;2-(thiolan-1-ylidene)acetonitrile (CID 161264154) is tert-butyl (3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;(3S)-3-[[(2S)-2-[[(2S)-3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-2-oxo-4-phenylbutanoic acid;(3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid;(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid;2-(thiolan-1-ylidene)acetonitrile.

What is the SMILES notation for tert-butyl (3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;(3S)-3-[[(2S)-2-[[(2S)-3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-2-oxo-4-phenylbutanoic acid;(3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid;(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid;2-(thiolan-1-ylidene)acetonitrile?

The canonical SMILES for tert-butyl (3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;(3S)-3-[[(2S)-2-[[(2S)-3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-2-oxo-4-phenylbutanoic acid;(3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid;(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid;2-(thiolan-1-ylidene)acetonitrile is C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)O.C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(C#N)=S1CCCC1.C[C@H](NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(C#N)=S1CCCC1.C[C@H](NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)O.N#CC=S1CCCC1.

What is the InChIKey of tert-butyl (3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;(3S)-3-[[(2S)-2-[[(2S)-3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-2-oxo-4-phenylbutanoic acid;(3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid;(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid;2-(thiolan-1-ylidene)acetonitrile?

The InChIKey is VCYIXHWAAQQZAF-XDNGPXLSSA-N. The full InChI is InChI=1S/C41H46N4O7S.C37H38N4O7S.C35H39N3O8.C32H31N3O9.C6H9NS/c1-26(38(48)44-33(22-27-14-6-5-7-15-27)37(47)35(24-42)53-20-12-13-21-53)43-39(49)34(23-36(46)52-41(2,3)4)45-40(50)51-25-32-30-18-10-8-16-28(30)29-17-9-11-19-31(29)32;1-23(35(45)40-30(19-24-11-3-2-4-12-24)34(44)32(21-38)49-17-9-10-18-49)39-36(46)31(20-33(42)43)41-37(47)48-22-29-27-15-7-5-13-25(27)26-14-6-8-16-28(26)29;1-21(31(40)37-29(33(42)43)18-22-12-6-5-7-13-22)36-32(41)28(19-30(39)46-35(2,3)4)38-34(44)45-20-27-25-16-10-8-14-23(25)24-15-9-11-17-26(24)27;1-18(29(39)34-25(28(38)31(41)42)15-19-9-3-2-4-10-19)33-30(40)26(16-27(36)37)35-32(43)44-17-24-22-13-7-5-11-20(22)21-12-6-8-14-23(21)24;7-3-6-8-4-1-2-5-8/h5-11,14-19,26,32-34H,12-13,20-23,25H2,1-4H3,(H,43,49)(H,44,48)(H,45,50);2-8,11-16,23,29-31H,9-10,17-20,22H2,1H3,(H,39,46)(H,40,45)(H,41,47)(H,42,43);5-17,21,27-29H,18-20H2,1-4H3,(H,36,41)(H,37,40)(H,38,44)(H,42,43);2-14,18,24-26H,15-17H2,1H3,(H,33,40)(H,34,39)(H,35,43)(H,36,37)(H,41,42);6H,1-2,4-5H2/t26-,33-,34-;23-,30-,31-;21-,28-,29-;18-,25-,26-;/m0000./s1.

What are the key properties of tert-butyl (3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;(3S)-3-[[(2S)-2-[[(2S)-3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-2-oxo-4-phenylbutanoic acid;(3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid;(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid;2-(thiolan-1-ylidene)acetonitrile?

tert-butyl (3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;(3S)-3-[[(2S)-2-[[(2S)-3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-2-oxo-4-phenylbutanoic acid;(3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid;(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid;2-(thiolan-1-ylidene)acetonitrile has a molecular weight of 2780.24 g/mol, XLogP of 16.69, 51 rotatable bonds, 16 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;(3S)-3-[[(2S)-2-[[(2S)-3-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-2-oxo-4-phenylbutanoic acid;(3S)-4-[[(2S)-1-[[(2S)-4-cyano-3-oxo-1-phenyl-4-(thiolan-1-ylidene)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid;(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid;2-(thiolan-1-ylidene)acetonitrile is sourced from PubChem (CID 161264154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).