N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C32H38N4O6 — CID 146956097

About N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 146956097) has the molecular formula C32H38N4O6 and a molecular weight of 574.68 g/mol. Its IUPAC name is N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 146956097
• Molecular Formula: C32H38N4O6
• Molecular Weight: 574.68 g/mol
• Exact Mass: 574.28
• IUPAC Name: N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(C(=O)N[C@@H](Cc2ccccn2)C(=O)CC(Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)no1
• InChI: InChI=1S/C32H38N4O6/c1-20(2)14-26(29(38)32(4)19-41-32)35-30(39)23(16-22-10-6-5-7-11-22)17-28(37)25(18-24-12-8-9-13-33-24)34-31(40)27-15-21(3)42-36-27/h5-13,15,20,23,25-26H,14,16-19H2,1-4H3,(H,34,40)(H,35,39)/t23?,25-,26-,32+/m0/s1
• InChIKey: AJQZGSUZTYBEMF-FNQYBXIOSA-N
• XLogP: 3.43
• TPSA: 143.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.68
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 146956097) is N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@@H](Cc2ccccn2)C(=O)CC(Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)no1.

What is the InChIKey of N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is AJQZGSUZTYBEMF-FNQYBXIOSA-N. The full InChI is InChI=1S/C32H38N4O6/c1-20(2)14-26(29(38)32(4)19-41-32)35-30(39)23(16-22-10-6-5-7-11-22)17-28(37)25(18-24-12-8-9-13-33-24)34-31(40)27-15-21(3)42-36-27/h5-13,15,20,23,25-26H,14,16-19H2,1-4H3,(H,34,40)(H,35,39)/t23?,25-,26-,32+/m0/s1.

What are the key properties of N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 574.68 g/mol, XLogP of 3.43, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146956097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).