N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-(1,3-thiazol-5-yl)propan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C24H33N5O7S — CID 73051137

About N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-(1,3-thiazol-5-yl)propan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-(1,3-thiazol-5-yl)propan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 73051137) has the molecular formula C24H33N5O7S and a molecular weight of 535.62 g/mol. Its IUPAC name is N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-(1,3-thiazol-5-yl)propan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-(1,3-thiazol-5-yl)propan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 73051137
• Molecular Formula: C24H33N5O7S
• Molecular Weight: 535.62 g/mol
• Exact Mass: 535.21
• IUPAC Name: N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-(1,3-thiazol-5-yl)propan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: COC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1cncs1)C(=O)N[C@@H](CC(C)C)C(=O)[C@]1(C)CO1
• InChI: InChI=1S/C24H33N5O7S/c1-13(2)6-16(20(30)24(4)11-35-24)26-21(31)17(8-15-9-25-12-37-15)27-23(33)19(10-34-5)28-22(32)18-7-14(3)36-29-18/h7,9,12-13,16-17,19H,6,8,10-11H2,1-5H3,(H,26,31)(H,27,33)(H,28,32)/t16-,17-,19-,24-/m0/s1
• InChIKey: BGCDOIQUVVCFDN-ANEIOGAWSA-N
• XLogP: 0.80
• TPSA: 165.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.62
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-(1,3-thiazol-5-yl)propan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-(1,3-thiazol-5-yl)propan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 73051137) is N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-(1,3-thiazol-5-yl)propan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-(1,3-thiazol-5-yl)propan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-(1,3-thiazol-5-yl)propan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is COC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1cncs1)C(=O)N[C@@H](CC(C)C)C(=O)[C@]1(C)CO1.

What is the InChIKey of N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-(1,3-thiazol-5-yl)propan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is BGCDOIQUVVCFDN-ANEIOGAWSA-N. The full InChI is InChI=1S/C24H33N5O7S/c1-13(2)6-16(20(30)24(4)11-35-24)26-21(31)17(8-15-9-25-12-37-15)27-23(33)19(10-34-5)28-22(32)18-7-14(3)36-29-18/h7,9,12-13,16-17,19H,6,8,10-11H2,1-5H3,(H,26,31)(H,27,33)(H,28,32)/t16-,17-,19-,24-/m0/s1.

What are the key properties of N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-(1,3-thiazol-5-yl)propan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-(1,3-thiazol-5-yl)propan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 535.62 g/mol, XLogP of 0.80, 14 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-(1,3-thiazol-5-yl)propan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 73051137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).