N-[3-[(1R)-2-methoxycyclobutyl]-1-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-(2-methyl-1,3-thiazol-5-yl)-4-oxopentanamide

C30H39N3O6S — CID 154559023

About N-[3-[(1R)-2-methoxycyclobutyl]-1-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-(2-methyl-1,3-thiazol-5-yl)-4-oxopentanamide

N-[3-[(1R)-2-methoxycyclobutyl]-1-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-(2-methyl-1,3-thiazol-5-yl)-4-oxopentanamide (PubChem CID 154559023) has the molecular formula C30H39N3O6S and a molecular weight of 569.72 g/mol. Its IUPAC name is N-[3-[(1R)-2-methoxycyclobutyl]-1-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-(2-methyl-1,3-thiazol-5-yl)-4-oxopentanamide.

Molecular Properties

• Compound Name: N-[3-[(1R)-2-methoxycyclobutyl]-1-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-(2-methyl-1,3-thiazol-5-yl)-4-oxopentanamide
• PubChem CID: 154559023
• Molecular Formula: C30H39N3O6S
• Molecular Weight: 569.72 g/mol
• Exact Mass: 569.26
• IUPAC Name: N-[3-[(1R)-2-methoxycyclobutyl]-1-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-(2-methyl-1,3-thiazol-5-yl)-4-oxopentanamide
• SMILES: COC1CC[C@@H]1CC(NC(=O)C(C)CC(=O)Cc1cnc(C)s1)C(=O)NC(Cc1ccccc1)C(=O)[C@@]1(C)CO1
• InChI: InChI=1S/C30H39N3O6S/c1-18(12-22(34)15-23-16-31-19(2)40-23)28(36)33-25(14-21-10-11-26(21)38-4)29(37)32-24(27(35)30(3)17-39-30)13-20-8-6-5-7-9-20/h5-9,16,18,21,24-26H,10-15,17H2,1-4H3,(H,32,37)(H,33,36)/t18?,21-,24?,25?,26?,30-/m1/s1
• InChIKey: LJQDYCQXFJJFIF-FXGSLXMESA-N
• XLogP: 2.97
• TPSA: 126.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.72
LogP ≤ 5	2.97
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-[3-[(1R)-2-methoxycyclobutyl]-1-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-(2-methyl-1,3-thiazol-5-yl)-4-oxopentanamide?

The IUPAC name of N-[3-[(1R)-2-methoxycyclobutyl]-1-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-(2-methyl-1,3-thiazol-5-yl)-4-oxopentanamide (CID 154559023) is N-[3-[(1R)-2-methoxycyclobutyl]-1-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-(2-methyl-1,3-thiazol-5-yl)-4-oxopentanamide.

What is the SMILES notation for N-[3-[(1R)-2-methoxycyclobutyl]-1-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-(2-methyl-1,3-thiazol-5-yl)-4-oxopentanamide?

The canonical SMILES for N-[3-[(1R)-2-methoxycyclobutyl]-1-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-(2-methyl-1,3-thiazol-5-yl)-4-oxopentanamide is COC1CC[C@@H]1CC(NC(=O)C(C)CC(=O)Cc1cnc(C)s1)C(=O)NC(Cc1ccccc1)C(=O)[C@@]1(C)CO1.

What is the InChIKey of N-[3-[(1R)-2-methoxycyclobutyl]-1-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-(2-methyl-1,3-thiazol-5-yl)-4-oxopentanamide?

The InChIKey is LJQDYCQXFJJFIF-FXGSLXMESA-N. The full InChI is InChI=1S/C30H39N3O6S/c1-18(12-22(34)15-23-16-31-19(2)40-23)28(36)33-25(14-21-10-11-26(21)38-4)29(37)32-24(27(35)30(3)17-39-30)13-20-8-6-5-7-9-20/h5-9,16,18,21,24-26H,10-15,17H2,1-4H3,(H,32,37)(H,33,36)/t18?,21-,24?,25?,26?,30-/m1/s1.

What are the key properties of N-[3-[(1R)-2-methoxycyclobutyl]-1-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-(2-methyl-1,3-thiazol-5-yl)-4-oxopentanamide?

N-[3-[(1R)-2-methoxycyclobutyl]-1-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-(2-methyl-1,3-thiazol-5-yl)-4-oxopentanamide has a molecular weight of 569.72 g/mol, XLogP of 2.97, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(1R)-2-methoxycyclobutyl]-1-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-5-(2-methyl-1,3-thiazol-5-yl)-4-oxopentanamide is sourced from PubChem (CID 154559023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).