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

C37H47N5O8 — CID 155512766

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

N-[(2S)-1-[[(2S,3R)-3-hydroxy-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-oxobutan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 155512766) has the molecular formula C37H47N5O8 and a molecular weight of 689.81 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S,3R)-3-hydroxy-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-oxobutan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(2S,3R)-3-hydroxy-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-oxobutan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 155512766
• Molecular Formula: C37H47N5O8
• Molecular Weight: 689.81 g/mol
• Exact Mass: 689.34
• IUPAC Name: N-[(2S)-1-[[(2S,3R)-3-hydroxy-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-oxobutan-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](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)[C@@H](C)O)no1
• InChI: InChI=1S/C37H47N5O8/c1-22(2)18-28(32(44)37(5)21-49-37)39-34(46)29(20-26-14-10-7-11-15-26)40-36(48)31(24(4)43)41-33(45)27(17-16-25-12-8-6-9-13-25)38-35(47)30-19-23(3)50-42-30/h6-15,19,22,24,27-29,31,43H,16-18,20-21H2,1-5H3,(H,38,47)(H,39,46)(H,40,48)(H,41,45)/t24-,27+,28+,29+,31+,37-/m1/s1
• InChIKey: WVFLVYXDAMUASN-CPMHCHEQSA-N
• XLogP: 2.20
• TPSA: 192.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	689.81
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

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,3R)-3-hydroxy-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-oxobutan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(2S)-1-[[(2S,3R)-3-hydroxy-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-oxobutan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 155512766) is N-[(2S)-1-[[(2S,3R)-3-hydroxy-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-oxobutan-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,3R)-3-hydroxy-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-oxobutan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[(2S)-1-[[(2S,3R)-3-hydroxy-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-oxobutan-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](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)[C@@H](C)O)no1.

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

The InChIKey is WVFLVYXDAMUASN-CPMHCHEQSA-N. The full InChI is InChI=1S/C37H47N5O8/c1-22(2)18-28(32(44)37(5)21-49-37)39-34(46)29(20-26-14-10-7-11-15-26)40-36(48)31(24(4)43)41-33(45)27(17-16-25-12-8-6-9-13-25)38-35(47)30-19-23(3)50-42-30/h6-15,19,22,24,27-29,31,43H,16-18,20-21H2,1-5H3,(H,38,47)(H,39,46)(H,40,48)(H,41,45)/t24-,27+,28+,29+,31+,37-/m1/s1.

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

N-[(2S)-1-[[(2S,3R)-3-hydroxy-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-oxobutan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 689.81 g/mol, XLogP of 2.20, 18 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(2S,3R)-3-hydroxy-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-oxobutan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155512766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).