N-[(2S)-1-[[(2S)-3-cyclopentyl-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-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C41H53N5O7 — CID 155540985

About N-[(2S)-1-[[(2S)-3-cyclopentyl-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-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(2S)-1-[[(2S)-3-cyclopentyl-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-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 155540985) has the molecular formula C41H53N5O7 and a molecular weight of 727.90 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-3-cyclopentyl-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-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(2S)-3-cyclopentyl-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-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 155540985
• Molecular Formula: C41H53N5O7
• Molecular Weight: 727.90 g/mol
• Exact Mass: 727.39
• IUPAC Name: N-[(2S)-1-[[(2S)-3-cyclopentyl-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-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(C(=O)N[C@@H](CCc2ccccc2)C(=O)N[C@@H](CC2CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)no1
• InChI: InChI=1S/C41H53N5O7/c1-26(2)21-32(36(47)41(4)25-52-41)43-38(49)33(23-29-15-9-6-10-16-29)45-39(50)34(24-30-17-11-12-18-30)44-37(48)31(20-19-28-13-7-5-8-14-28)42-40(51)35-22-27(3)53-46-35/h5-10,13-16,22,26,30-34H,11-12,17-21,23-25H2,1-4H3,(H,42,51)(H,43,49)(H,44,48)(H,45,50)/t31-,32-,33-,34-,41+/m0/s1
• InChIKey: XJZQLOCDSYFIEE-DKSOTBSCSA-N
• XLogP: 4.40
• TPSA: 172.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	727.90
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	4
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)-1-[[(2S)-3-cyclopentyl-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-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(2S)-1-[[(2S)-3-cyclopentyl-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-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 155540985) is N-[(2S)-1-[[(2S)-3-cyclopentyl-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-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[(2S)-3-cyclopentyl-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-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[(2S)-1-[[(2S)-3-cyclopentyl-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-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@@H](CCc2ccccc2)C(=O)N[C@@H](CC2CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)no1.

What is the InChIKey of N-[(2S)-1-[[(2S)-3-cyclopentyl-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-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is XJZQLOCDSYFIEE-DKSOTBSCSA-N. The full InChI is InChI=1S/C41H53N5O7/c1-26(2)21-32(36(47)41(4)25-52-41)43-38(49)33(23-29-15-9-6-10-16-29)45-39(50)34(24-30-17-11-12-18-30)44-37(48)31(20-19-28-13-7-5-8-14-28)42-40(51)35-22-27(3)53-46-35/h5-10,13-16,22,26,30-34H,11-12,17-21,23-25H2,1-4H3,(H,42,51)(H,43,49)(H,44,48)(H,45,50)/t31-,32-,33-,34-,41+/m0/s1.

What are the key properties of N-[(2S)-1-[[(2S)-3-cyclopentyl-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-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

N-[(2S)-1-[[(2S)-3-cyclopentyl-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-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 727.90 g/mol, XLogP of 4.40, 19 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(2S)-3-cyclopentyl-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-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155540985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).