benzyl (2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoate

C92H84N12O19 — CID 177498601

About benzyl (2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoate

benzyl (2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoate (PubChem CID 177498601) has the molecular formula C92H84N12O19 and a molecular weight of 1661.75 g/mol. Its IUPAC name is benzyl (2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoate.

Molecular Properties

• Compound Name: benzyl (2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoate
• PubChem CID: 177498601
• Molecular Formula: C92H84N12O19
• Molecular Weight: 1661.75 g/mol
• Exact Mass: 1660.60
• IUPAC Name: benzyl (2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoate
• SMILES: C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N([C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N([C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N([C@H](C)C(=O)OCc1ccccc1)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O)N(C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)N1C(=O)c2ccccc2C1=O
• InChI: InChI=1S/C92H84N12O19/c1-54(97(101-78(108)63-41-23-24-42-64(63)79(101)109)87(117)72(50-59-33-15-9-16-34-59)94-77(107)56(3)99(103-82(112)67-45-27-28-46-68(67)83(103)113)89(119)74(52-61-37-19-11-20-38-61)96-91(121)123-92(5,6)7)75(105)93-71(49-58-31-13-8-14-32-58)86(116)98(102-80(110)65-43-25-26-44-66(65)81(102)111)55(2)76(106)95-73(51-60-35-17-10-18-36-60)88(118)100(57(4)90(120)122-53-62-39-21-12-22-40-62)104-84(114)69-47-29-30-48-70(69)85(104)115/h8-48,54-57,71-74H,49-53H2,1-7H3,(H,93,105)(H,94,107)(H,95,106)(H,96,121)/t54-,55-,56-,57-,71+,72+,73+,74+/m1/s1
• InChIKey: HVRQOKFJSKULMH-XVWLQVJBSA-N
• XLogP: 7.76
• TPSA: 382.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 30
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1661.75
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoate?

The IUPAC name of benzyl (2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoate (CID 177498601) is benzyl (2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoate.

What is the SMILES notation for benzyl (2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoate?

The canonical SMILES for benzyl (2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoate is C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N([C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N([C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N([C@H](C)C(=O)OCc1ccccc1)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O)N(C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)N1C(=O)c2ccccc2C1=O.

What is the InChIKey of benzyl (2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoate?

The InChIKey is HVRQOKFJSKULMH-XVWLQVJBSA-N. The full InChI is InChI=1S/C92H84N12O19/c1-54(97(101-78(108)63-41-23-24-42-64(63)79(101)109)87(117)72(50-59-33-15-9-16-34-59)94-77(107)56(3)99(103-82(112)67-45-27-28-46-68(67)83(103)113)89(119)74(52-61-37-19-11-20-38-61)96-91(121)123-92(5,6)7)75(105)93-71(49-58-31-13-8-14-32-58)86(116)98(102-80(110)65-43-25-26-44-66(65)81(102)111)55(2)76(106)95-73(51-60-35-17-10-18-36-60)88(118)100(57(4)90(120)122-53-62-39-21-12-22-40-62)104-84(114)69-47-29-30-48-70(69)85(104)115/h8-48,54-57,71-74H,49-53H2,1-7H3,(H,93,105)(H,94,107)(H,95,106)(H,96,121)/t54-,55-,56-,57-,71+,72+,73+,74+/m1/s1.

What are the key properties of benzyl (2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoate?

benzyl (2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoate has a molecular weight of 1661.75 g/mol, XLogP of 7.76, 30 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[[(2R)-2-[(1,3-dioxoisoindol-2-yl)-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoate is sourced from PubChem (CID 177498601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).