benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

C26H36N4O6 — CID 10097512

About benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 10097512) has the molecular formula C26H36N4O6 and a molecular weight of 500.60 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
• PubChem CID: 10097512
• Molecular Formula: C26H36N4O6
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.26
• IUPAC Name: benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
• SMILES: CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)C1=NCCO1
• InChI: InChI=1S/C26H36N4O6/c1-16(2)20(22(31)24-27-12-14-35-24)28-23(32)19-11-8-13-30(19)25(33)21(17(3)4)29-26(34)36-15-18-9-6-5-7-10-18/h5-7,9-10,16-17,19-21H,8,11-15H2,1-4H3,(H,28,32)(H,29,34)/t19-,20-,21-/m0/s1
• InChIKey: VRPSNECULJISJO-ACRUOGEOSA-N
• XLogP: 2.07
• TPSA: 126.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

The IUPAC name of benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (CID 10097512) is benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

The canonical SMILES for benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)C1=NCCO1.

What is the InChIKey of benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

The InChIKey is VRPSNECULJISJO-ACRUOGEOSA-N. The full InChI is InChI=1S/C26H36N4O6/c1-16(2)20(22(31)24-27-12-14-35-24)28-23(32)19-11-8-13-30(19)25(33)21(17(3)4)29-26(34)36-15-18-9-6-5-7-10-18/h5-7,9-10,16-17,19-21H,8,11-15H2,1-4H3,(H,28,32)(H,29,34)/t19-,20-,21-/m0/s1.

What are the key properties of benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 500.60 g/mol, XLogP of 2.07, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(2S)-1-[(2S)-2-[[(2S)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 10097512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).