ethane;(2S)-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]pentanamide;toluene

C32H49N5O7 — CID 144562199

About ethane;(2S)-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]pentanamide;toluene

ethane;(2S)-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]pentanamide;toluene (PubChem CID 144562199) has the molecular formula C32H49N5O7 and a molecular weight of 615.77 g/mol. Its IUPAC name is ethane;(2S)-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]pentanamide;toluene.

Molecular Properties

• Compound Name: ethane;(2S)-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]pentanamide;toluene
• PubChem CID: 144562199
• Molecular Formula: C32H49N5O7
• Molecular Weight: 615.77 g/mol
• Exact Mass: 615.36
• IUPAC Name: ethane;(2S)-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]pentanamide;toluene
• SMILES: CC.CCC[C@H](NC(=O)CNC(=O)Cc1ccon1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)C1(C)CO1.Cc1ccccc1
• InChI: InChI=1S/C23H35N5O7.C7H8.C2H6/c1-5-6-16(26-19(30)11-24-18(29)10-15-7-8-35-28-15)22(33)25-12-20(31)27-17(9-14(2)3)21(32)23(4)13-34-23;1-7-5-3-2-4-6-7;1-2/h7-8,14,16-17H,5-6,9-13H2,1-4H3,(H,24,29)(H,25,33)(H,26,30)(H,27,31);2-6H,1H3;1-2H3/t16-,17-,23?;;/m0../s1
• InChIKey: XDCRMMXZOUCEGY-BCSRIKBDSA-N
• XLogP: 2.64
• TPSA: 172.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	615.77
LogP ≤ 5	2.64
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 ethane;(2S)-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]pentanamide;toluene?

The IUPAC name of ethane;(2S)-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]pentanamide;toluene (CID 144562199) is ethane;(2S)-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]pentanamide;toluene.

What is the SMILES notation for ethane;(2S)-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]pentanamide;toluene?

The canonical SMILES for ethane;(2S)-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]pentanamide;toluene is CC.CCC[C@H](NC(=O)CNC(=O)Cc1ccon1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)C1(C)CO1.Cc1ccccc1.

What is the InChIKey of ethane;(2S)-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]pentanamide;toluene?

The InChIKey is XDCRMMXZOUCEGY-BCSRIKBDSA-N. The full InChI is InChI=1S/C23H35N5O7.C7H8.C2H6/c1-5-6-16(26-19(30)11-24-18(29)10-15-7-8-35-28-15)22(33)25-12-20(31)27-17(9-14(2)3)21(32)23(4)13-34-23;1-7-5-3-2-4-6-7;1-2/h7-8,14,16-17H,5-6,9-13H2,1-4H3,(H,24,29)(H,25,33)(H,26,30)(H,27,31);2-6H,1H3;1-2H3/t16-,17-,23?;;/m0../s1.

What are the key properties of ethane;(2S)-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]pentanamide;toluene?

ethane;(2S)-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]pentanamide;toluene has a molecular weight of 615.77 g/mol, XLogP of 2.64, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;(2S)-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]pentanamide;toluene is sourced from PubChem (CID 144562199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).