[(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

C27H40N4O6 — CID 171715973

About [(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

[(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 171715973) has the molecular formula C27H40N4O6 and a molecular weight of 516.64 g/mol. Its IUPAC name is [(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

• Compound Name: [(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
• PubChem CID: 171715973
• Molecular Formula: C27H40N4O6
• Molecular Weight: 516.64 g/mol
• Exact Mass: 516.29
• IUPAC Name: [(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
• SMILES: CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1CCc1ccccc1)C(=O)N[C@H](CO)C[C@@H]1CCNC1=O
• InChI: InChI=1S/C27H40N4O6/c1-18(2)14-23(26(35)29-21(16-32)15-20-10-12-28-25(20)34)30-27(36)37-17-22-8-9-24(33)31(22)13-11-19-6-4-3-5-7-19/h3-7,18,20-23,32H,8-17H2,1-2H3,(H,28,34)(H,29,35)(H,30,36)/t20-,21-,22-,23-/m0/s1
• InChIKey: XRVYNSCKMNQBES-MLCQCVOFSA-N
• XLogP: 1.36
• TPSA: 137.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.64
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?

The IUPAC name of [(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 171715973) is [(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.

What is the SMILES notation for [(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?

The canonical SMILES for [(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1CCc1ccccc1)C(=O)N[C@H](CO)C[C@@H]1CCNC1=O.

What is the InChIKey of [(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?

The InChIKey is XRVYNSCKMNQBES-MLCQCVOFSA-N. The full InChI is InChI=1S/C27H40N4O6/c1-18(2)14-23(26(35)29-21(16-32)15-20-10-12-28-25(20)34)30-27(36)37-17-22-8-9-24(33)31(22)13-11-19-6-4-3-5-7-19/h3-7,18,20-23,32H,8-17H2,1-2H3,(H,28,34)(H,29,35)(H,30,36)/t20-,21-,22-,23-/m0/s1.

What are the key properties of [(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?

[(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 516.64 g/mol, XLogP of 1.36, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 171715973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).