[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (3S)-4-[[(2R)-2-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-3-(4-chlorophenyl)propyl]-methylamino]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-oxobutanoate

C53H63Cl2N3O5Si — CID 151747269

About [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (3S)-4-[[(2R)-2-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-3-(4-chlorophenyl)propyl]-methylamino]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-oxobutanoate

[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (3S)-4-[[(2R)-2-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-3-(4-chlorophenyl)propyl]-methylamino]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-oxobutanoate (PubChem CID 151747269) has the molecular formula C53H63Cl2N3O5Si and a molecular weight of 921.10 g/mol. Its IUPAC name is [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (3S)-4-[[(2R)-2-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-3-(4-chlorophenyl)propyl]-methylamino]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-oxobutanoate.

Molecular Properties

• Compound Name: [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (3S)-4-[[(2R)-2-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-3-(4-chlorophenyl)propyl]-methylamino]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-oxobutanoate
• PubChem CID: 151747269
• Molecular Formula: C53H63Cl2N3O5Si
• Molecular Weight: 921.10 g/mol
• Exact Mass: 919.39
• IUPAC Name: [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (3S)-4-[[(2R)-2-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-3-(4-chlorophenyl)propyl]-methylamino]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-oxobutanoate
• SMILES: Cc1ccc(C(OC(=O)C[C@H](C(=O)N(C)C[C@@H](Cc2ccc(Cl)cc2)N(C)C(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C)[C@@H]2CCc3ccccc32)(c2ccccc2)c2ccccc2Cl)cc1
• InChI: InChI=1S/C53H63Cl2N3O5Si/c1-36-22-27-40(28-23-36)53(39-17-10-9-11-18-39,46-20-14-15-21-47(46)55)63-49(59)33-45(44-31-26-38-16-12-13-19-43(38)44)50(60)57(5)34-42(32-37-24-29-41(54)30-25-37)58(6)51(61)48(56)35-62-64(7,8)52(2,3)4/h9-25,27-30,42,44-45,48H,26,31-35,56H2,1-8H3/t42-,44-,45+,48+,53?/m1/s1
• InChIKey: RNTVJZOACWUAHY-FXINRXTRSA-N
• XLogP: 10.75
• TPSA: 102.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.10
LogP ≤ 5	10.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (3S)-4-[[(2R)-2-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-3-(4-chlorophenyl)propyl]-methylamino]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-oxobutanoate?

The IUPAC name of [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (3S)-4-[[(2R)-2-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-3-(4-chlorophenyl)propyl]-methylamino]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-oxobutanoate (CID 151747269) is [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (3S)-4-[[(2R)-2-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-3-(4-chlorophenyl)propyl]-methylamino]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-oxobutanoate.

What is the SMILES notation for [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (3S)-4-[[(2R)-2-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-3-(4-chlorophenyl)propyl]-methylamino]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-oxobutanoate?

The canonical SMILES for [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (3S)-4-[[(2R)-2-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-3-(4-chlorophenyl)propyl]-methylamino]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-oxobutanoate is Cc1ccc(C(OC(=O)C[C@H](C(=O)N(C)C[C@@H](Cc2ccc(Cl)cc2)N(C)C(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C)[C@@H]2CCc3ccccc32)(c2ccccc2)c2ccccc2Cl)cc1.

What is the InChIKey of [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (3S)-4-[[(2R)-2-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-3-(4-chlorophenyl)propyl]-methylamino]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-oxobutanoate?

The InChIKey is RNTVJZOACWUAHY-FXINRXTRSA-N. The full InChI is InChI=1S/C53H63Cl2N3O5Si/c1-36-22-27-40(28-23-36)53(39-17-10-9-11-18-39,46-20-14-15-21-47(46)55)63-49(59)33-45(44-31-26-38-16-12-13-19-43(38)44)50(60)57(5)34-42(32-37-24-29-41(54)30-25-37)58(6)51(61)48(56)35-62-64(7,8)52(2,3)4/h9-25,27-30,42,44-45,48H,26,31-35,56H2,1-8H3/t42-,44-,45+,48+,53?/m1/s1.

What are the key properties of [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (3S)-4-[[(2R)-2-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-3-(4-chlorophenyl)propyl]-methylamino]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-oxobutanoate?

[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (3S)-4-[[(2R)-2-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-3-(4-chlorophenyl)propyl]-methylamino]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-oxobutanoate has a molecular weight of 921.10 g/mol, XLogP of 10.75, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (3S)-4-[[(2R)-2-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-3-(4-chlorophenyl)propyl]-methylamino]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-oxobutanoate is sourced from PubChem (CID 151747269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).