[(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-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

C26H37ClN4O6 — CID 171715962

About [(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-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)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-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 171715962) has the molecular formula C26H37ClN4O6 and a molecular weight of 537.06 g/mol. Its IUPAC name is [(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-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)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-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: 171715962
• Molecular Formula: C26H37ClN4O6
• Molecular Weight: 537.06 g/mol
• Exact Mass: 536.24
• IUPAC Name: [(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-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)N1Cc1cccc(Cl)c1)C(=O)N[C@H](CO)C[C@@H]1CCNC1=O
• InChI: InChI=1S/C26H37ClN4O6/c1-16(2)10-22(25(35)29-20(14-32)12-18-8-9-28-24(18)34)30-26(36)37-15-21-6-7-23(33)31(21)13-17-4-3-5-19(27)11-17/h3-5,11,16,18,20-22,32H,6-10,12-15H2,1-2H3,(H,28,34)(H,29,35)(H,30,36)/t18-,20-,21-,22-/m0/s1
• InChIKey: GTLILBHXPYTFFD-QESAQDPVSA-N
• XLogP: 1.98
• TPSA: 137.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.06
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-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)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-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 171715962) is [(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-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)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-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)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-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)N1Cc1cccc(Cl)c1)C(=O)N[C@H](CO)C[C@@H]1CCNC1=O.

What is the InChIKey of [(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-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 GTLILBHXPYTFFD-QESAQDPVSA-N. The full InChI is InChI=1S/C26H37ClN4O6/c1-16(2)10-22(25(35)29-20(14-32)12-18-8-9-28-24(18)34)30-26(36)37-15-21-6-7-23(33)31(21)13-17-4-3-5-19(27)11-17/h3-5,11,16,18,20-22,32H,6-10,12-15H2,1-2H3,(H,28,34)(H,29,35)(H,30,36)/t18-,20-,21-,22-/m0/s1.

What are the key properties of [(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-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)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-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 537.06 g/mol, XLogP of 1.98, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-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 171715962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).