(2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(2-trimethylsilylethoxycarbonylamino)propanoic acid

C32H44N4O9Si — CID 156629622

About (2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(2-trimethylsilylethoxycarbonylamino)propanoic acid

(2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(2-trimethylsilylethoxycarbonylamino)propanoic acid (PubChem CID 156629622) has the molecular formula C32H44N4O9Si and a molecular weight of 656.81 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(2-trimethylsilylethoxycarbonylamino)propanoic acid.

Molecular Properties

• Compound Name: (2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(2-trimethylsilylethoxycarbonylamino)propanoic acid
• PubChem CID: 156629622
• Molecular Formula: C32H44N4O9Si
• Molecular Weight: 656.81 g/mol
• Exact Mass: 656.29
• IUPAC Name: (2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(2-trimethylsilylethoxycarbonylamino)propanoic acid
• SMILES: CC(C)(C)OC(=O)NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CNC(=O)OCC[Si](C)(C)C)C(=O)O
• InChI: InChI=1S/C32H44N4O9Si/c1-32(2,3)45-30(41)34-17-25(27(37)35-26(28(38)39)18-33-29(40)43-15-16-46(4,5)6)36-31(42)44-19-24-22-13-9-7-11-20(22)21-12-8-10-14-23(21)24/h7-14,24-26H,15-19H2,1-6H3,(H,33,40)(H,34,41)(H,35,37)(H,36,42)(H,38,39)/t25-,26+/m0/s1
• InChIKey: QNNTWEQUUDJVMI-IZZNHLLZSA-N
• XLogP: 4.05
• TPSA: 181.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	656.81
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(2-trimethylsilylethoxycarbonylamino)propanoic acid?

The IUPAC name of (2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(2-trimethylsilylethoxycarbonylamino)propanoic acid (CID 156629622) is (2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(2-trimethylsilylethoxycarbonylamino)propanoic acid.

What is the SMILES notation for (2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(2-trimethylsilylethoxycarbonylamino)propanoic acid?

The canonical SMILES for (2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(2-trimethylsilylethoxycarbonylamino)propanoic acid is CC(C)(C)OC(=O)NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CNC(=O)OCC[Si](C)(C)C)C(=O)O.

What is the InChIKey of (2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(2-trimethylsilylethoxycarbonylamino)propanoic acid?

The InChIKey is QNNTWEQUUDJVMI-IZZNHLLZSA-N. The full InChI is InChI=1S/C32H44N4O9Si/c1-32(2,3)45-30(41)34-17-25(27(37)35-26(28(38)39)18-33-29(40)43-15-16-46(4,5)6)36-31(42)44-19-24-22-13-9-7-11-20(22)21-12-8-10-14-23(21)24/h7-14,24-26H,15-19H2,1-6H3,(H,33,40)(H,34,41)(H,35,37)(H,36,42)(H,38,39)/t25-,26+/m0/s1.

What are the key properties of (2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(2-trimethylsilylethoxycarbonylamino)propanoic acid?

(2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(2-trimethylsilylethoxycarbonylamino)propanoic acid has a molecular weight of 656.81 g/mol, XLogP of 4.05, 13 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(2-trimethylsilylethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 156629622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).