N-[(2S)-3-methoxy-1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide;toluene

C29H39N7O7 — CID 144778042

About N-[(2S)-3-methoxy-1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide;toluene

N-[(2S)-3-methoxy-1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide;toluene (PubChem CID 144778042) has the molecular formula C29H39N7O7 and a molecular weight of 597.67 g/mol. Its IUPAC name is N-[(2S)-3-methoxy-1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide;toluene.

Molecular Properties

• Compound Name: N-[(2S)-3-methoxy-1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide;toluene
• PubChem CID: 144778042
• Molecular Formula: C29H39N7O7
• Molecular Weight: 597.67 g/mol
• Exact Mass: 597.29
• IUPAC Name: N-[(2S)-3-methoxy-1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide;toluene
• SMILES: COC[C@H](NC(=O)c1cc(Cc2ncn[nH]2)on1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1.Cc1ccccc1
• InChI: InChI=1S/C22H31N7O7.C7H8/c1-12(2)5-14(19(31)22(3)10-35-22)26-18(30)8-23-20(32)16(9-34-4)27-21(33)15-6-13(36-29-15)7-17-24-11-25-28-17;1-7-5-3-2-4-6-7/h6,11-12,14,16H,5,7-10H2,1-4H3,(H,23,32)(H,26,30)(H,27,33)(H,24,25,28);2-6H,1H3/t14-,16-,22+;/m0./s1
• InChIKey: RUJCXUFCMANPFE-BTUSCWCXSA-N
• XLogP: 1.13
• TPSA: 193.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	597.67
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	4
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-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide;toluene?

The IUPAC name of N-[(2S)-3-methoxy-1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide;toluene (CID 144778042) is N-[(2S)-3-methoxy-1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide;toluene.

What is the SMILES notation for N-[(2S)-3-methoxy-1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide;toluene?

The canonical SMILES for N-[(2S)-3-methoxy-1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide;toluene is COC[C@H](NC(=O)c1cc(Cc2ncn[nH]2)on1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1.Cc1ccccc1.

What is the InChIKey of N-[(2S)-3-methoxy-1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide;toluene?

The InChIKey is RUJCXUFCMANPFE-BTUSCWCXSA-N. The full InChI is InChI=1S/C22H31N7O7.C7H8/c1-12(2)5-14(19(31)22(3)10-35-22)26-18(30)8-23-20(32)16(9-34-4)27-21(33)15-6-13(36-29-15)7-17-24-11-25-28-17;1-7-5-3-2-4-6-7/h6,11-12,14,16H,5,7-10H2,1-4H3,(H,23,32)(H,26,30)(H,27,33)(H,24,25,28);2-6H,1H3/t14-,16-,22+;/m0./s1.

What are the key properties of N-[(2S)-3-methoxy-1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide;toluene?

N-[(2S)-3-methoxy-1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide;toluene has a molecular weight of 597.67 g/mol, XLogP of 1.13, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-methoxy-1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide;toluene is sourced from PubChem (CID 144778042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).