[(2S)-1-[[4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] N-methylcarbamate

C36H50N4O7 — CID 154946013

About [(2S)-1-[[4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] N-methylcarbamate

[(2S)-1-[[4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] N-methylcarbamate (PubChem CID 154946013) has the molecular formula C36H50N4O7 and a molecular weight of 650.82 g/mol. Its IUPAC name is [(2S)-1-[[4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] N-methylcarbamate.

Molecular Properties

• Compound Name: [(2S)-1-[[4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] N-methylcarbamate
• PubChem CID: 154946013
• Molecular Formula: C36H50N4O7
• Molecular Weight: 650.82 g/mol
• Exact Mass: 650.37
• IUPAC Name: [(2S)-1-[[4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] N-methylcarbamate
• SMILES: CNC(=O)O[C@@H](CCc1ccccc1)C(=O)NC(CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
• InChI: InChI=1S/C36H50N4O7/c1-23(2)19-27(31(41)36(5)22-46-36)38-33(43)29(21-26-15-11-8-12-16-26)39-32(42)28(20-24(3)4)40-34(44)30(47-35(45)37-6)18-17-25-13-9-7-10-14-25/h7-16,23-24,27-30H,17-22H2,1-6H3,(H,37,45)(H,38,43)(H,39,42)(H,40,44)/t27-,28?,29-,30-,36+/m0/s1
• InChIKey: DHUAEHCTCWFEGR-ILKJMNBUSA-N
• XLogP: 3.49
• TPSA: 155.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	650.82
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] N-methylcarbamate?

The IUPAC name of [(2S)-1-[[4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] N-methylcarbamate (CID 154946013) is [(2S)-1-[[4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] N-methylcarbamate.

What is the SMILES notation for [(2S)-1-[[4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] N-methylcarbamate?

The canonical SMILES for [(2S)-1-[[4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] N-methylcarbamate is CNC(=O)O[C@@H](CCc1ccccc1)C(=O)NC(CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1.

What is the InChIKey of [(2S)-1-[[4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] N-methylcarbamate?

The InChIKey is DHUAEHCTCWFEGR-ILKJMNBUSA-N. The full InChI is InChI=1S/C36H50N4O7/c1-23(2)19-27(31(41)36(5)22-46-36)38-33(43)29(21-26-15-11-8-12-16-26)39-32(42)28(20-24(3)4)40-34(44)30(47-35(45)37-6)18-17-25-13-9-7-10-14-25/h7-16,23-24,27-30H,17-22H2,1-6H3,(H,37,45)(H,38,43)(H,39,42)(H,40,44)/t27-,28?,29-,30-,36+/m0/s1.

What are the key properties of [(2S)-1-[[4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] N-methylcarbamate?

[(2S)-1-[[4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] N-methylcarbamate has a molecular weight of 650.82 g/mol, XLogP of 3.49, 18 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-[[4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] N-methylcarbamate is sourced from PubChem (CID 154946013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).