[3-[2-[[2-[[(3S)-5-methyl-1-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl] propanoate

C26H37N5O9 — CID 144562062

About [3-[2-[[2-[[(3S)-5-methyl-1-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl] propanoate

[3-[2-[[2-[[(3S)-5-methyl-1-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl] propanoate (PubChem CID 144562062) has the molecular formula C26H37N5O9 and a molecular weight of 563.61 g/mol. Its IUPAC name is [3-[2-[[2-[[(3S)-5-methyl-1-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl] propanoate.

Molecular Properties

• Compound Name: [3-[2-[[2-[[(3S)-5-methyl-1-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl] propanoate
• PubChem CID: 144562062
• Molecular Formula: C26H37N5O9
• Molecular Weight: 563.61 g/mol
• Exact Mass: 563.26
• IUPAC Name: [3-[2-[[2-[[(3S)-5-methyl-1-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl] propanoate
• SMILES: CCC(=O)Oc1cc(CC(=O)NCC(=O)N[C@H]2CC(C)N(CC(=O)N[C@@H](CC(C)C)C(=O)C3(C)CO3)C2=O)no1
• InChI: InChI=1S/C26H37N5O9/c1-6-22(35)39-23-10-16(30-40-23)9-19(32)27-11-20(33)29-18-8-15(4)31(25(18)37)12-21(34)28-17(7-14(2)3)24(36)26(5)13-38-26/h10,14-15,17-18H,6-9,11-13H2,1-5H3,(H,27,32)(H,28,34)(H,29,33)/t15?,17-,18-,26?/m0/s1
• InChIKey: DOEDITHHAFTCHN-OHCGZABISA-N
• XLogP: -0.36
• TPSA: 189.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.61
LogP ≤ 5	-0.36
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 [3-[2-[[2-[[(3S)-5-methyl-1-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl] propanoate?

The IUPAC name of [3-[2-[[2-[[(3S)-5-methyl-1-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl] propanoate (CID 144562062) is [3-[2-[[2-[[(3S)-5-methyl-1-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl] propanoate.

What is the SMILES notation for [3-[2-[[2-[[(3S)-5-methyl-1-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl] propanoate?

The canonical SMILES for [3-[2-[[2-[[(3S)-5-methyl-1-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl] propanoate is CCC(=O)Oc1cc(CC(=O)NCC(=O)N[C@H]2CC(C)N(CC(=O)N[C@@H](CC(C)C)C(=O)C3(C)CO3)C2=O)no1.

What is the InChIKey of [3-[2-[[2-[[(3S)-5-methyl-1-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl] propanoate?

The InChIKey is DOEDITHHAFTCHN-OHCGZABISA-N. The full InChI is InChI=1S/C26H37N5O9/c1-6-22(35)39-23-10-16(30-40-23)9-19(32)27-11-20(33)29-18-8-15(4)31(25(18)37)12-21(34)28-17(7-14(2)3)24(36)26(5)13-38-26/h10,14-15,17-18H,6-9,11-13H2,1-5H3,(H,27,32)(H,28,34)(H,29,33)/t15?,17-,18-,26?/m0/s1.

What are the key properties of [3-[2-[[2-[[(3S)-5-methyl-1-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl] propanoate?

[3-[2-[[2-[[(3S)-5-methyl-1-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl] propanoate has a molecular weight of 563.61 g/mol, XLogP of -0.36, 14 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-[[2-[[(3S)-5-methyl-1-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2-oxazol-5-yl] propanoate is sourced from PubChem (CID 144562062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).