tert-butyl (4S,5S)-5-[(1R,2R)-2-[[(2S)-1-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]cyclopentyl]-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate

C51H68N4O10 — CID 11491460

About tert-butyl (4S,5S)-5-[(1R,2R)-2-[[(2S)-1-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]cyclopentyl]-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate

tert-butyl (4S,5S)-5-[(1R,2R)-2-[[(2S)-1-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]cyclopentyl]-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 11491460) has the molecular formula C51H68N4O10 and a molecular weight of 897.12 g/mol. Its IUPAC name is tert-butyl (4S,5S)-5-[(1R,2R)-2-[[(2S)-1-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]cyclopentyl]-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (4S,5S)-5-[(1R,2R)-2-[[(2S)-1-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]cyclopentyl]-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate
• PubChem CID: 11491460
• Molecular Formula: C51H68N4O10
• Molecular Weight: 897.12 g/mol
• Exact Mass: 896.49
• IUPAC Name: tert-butyl (4S,5S)-5-[(1R,2R)-2-[[(2S)-1-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]cyclopentyl]-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate
• SMILES: CC(C)C[C@H]1[C@H]([C@@H]2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)OCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)OC(C)(C)N1C(=O)OC(C)(C)C
• InChI: InChI=1S/C51H68N4O10/c1-33(2)29-42-44(64-51(7,8)55(42)49(61)65-50(4,5)6)38-25-18-26-39(38)46(58)52-34(3)45(57)53-40(27-28-43(56)62-31-36-21-14-10-15-22-36)47(59)54-41(30-35-19-12-9-13-20-35)48(60)63-32-37-23-16-11-17-24-37/h9-17,19-24,33-34,38-42,44H,18,25-32H2,1-8H3,(H,52,58)(H,53,57)(H,54,59)/t34-,38+,39+,40-,41-,42-,44-/m0/s1
• InChIKey: IIQLRYZGVQWVJO-KWSXTYCXSA-N
• XLogP: 7.17
• TPSA: 178.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.12
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5S)-5-[(1R,2R)-2-[[(2S)-1-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]cyclopentyl]-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate?

The IUPAC name of tert-butyl (4S,5S)-5-[(1R,2R)-2-[[(2S)-1-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]cyclopentyl]-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate (CID 11491460) is tert-butyl (4S,5S)-5-[(1R,2R)-2-[[(2S)-1-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]cyclopentyl]-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for tert-butyl (4S,5S)-5-[(1R,2R)-2-[[(2S)-1-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]cyclopentyl]-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for tert-butyl (4S,5S)-5-[(1R,2R)-2-[[(2S)-1-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]cyclopentyl]-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate is CC(C)C[C@H]1[C@H]([C@@H]2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)OCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)OC(C)(C)N1C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl (4S,5S)-5-[(1R,2R)-2-[[(2S)-1-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]cyclopentyl]-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate?

The InChIKey is IIQLRYZGVQWVJO-KWSXTYCXSA-N. The full InChI is InChI=1S/C51H68N4O10/c1-33(2)29-42-44(64-51(7,8)55(42)49(61)65-50(4,5)6)38-25-18-26-39(38)46(58)52-34(3)45(57)53-40(27-28-43(56)62-31-36-21-14-10-15-22-36)47(59)54-41(30-35-19-12-9-13-20-35)48(60)63-32-37-23-16-11-17-24-37/h9-17,19-24,33-34,38-42,44H,18,25-32H2,1-8H3,(H,52,58)(H,53,57)(H,54,59)/t34-,38+,39+,40-,41-,42-,44-/m0/s1.

What are the key properties of tert-butyl (4S,5S)-5-[(1R,2R)-2-[[(2S)-1-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]cyclopentyl]-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate?

tert-butyl (4S,5S)-5-[(1R,2R)-2-[[(2S)-1-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]cyclopentyl]-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 897.12 g/mol, XLogP of 7.17, 19 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (4S,5S)-5-[(1R,2R)-2-[[(2S)-1-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]cyclopentyl]-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11491460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).