N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide

C30H39N7O6 — CID 59217688

About N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide

N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 59217688) has the molecular formula C30H39N7O6 and a molecular weight of 593.69 g/mol. Its IUPAC name is N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide
• PubChem CID: 59217688
• Molecular Formula: C30H39N7O6
• Molecular Weight: 593.69 g/mol
• Exact Mass: 593.30
• IUPAC Name: N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide
• SMILES: COC[C@H](NC(=O)c1cc(Cc2ncn[nH]2)on1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1
• InChI: InChI=1S/C30H39N7O6/c1-18(2)12-21(26(38)30(3)10-11-30)33-27(39)22(13-19-8-6-5-7-9-19)34-29(41)24(16-42-4)35-28(40)23-14-20(43-37-23)15-25-31-17-32-36-25/h5-9,14,17-18,21-22,24H,10-13,15-16H2,1-4H3,(H,33,39)(H,34,41)(H,35,40)(H,31,32,36)/t21-,22-,24-/m0/s1
• InChIKey: FYGPGEBXYUTBCN-FIXSFTCYSA-N
• XLogP: 1.76
• TPSA: 181.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.69
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide (CID 59217688) is N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide is COC[C@H](NC(=O)c1cc(Cc2ncn[nH]2)on1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.

What is the InChIKey of N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide?

The InChIKey is FYGPGEBXYUTBCN-FIXSFTCYSA-N. The full InChI is InChI=1S/C30H39N7O6/c1-18(2)12-21(26(38)30(3)10-11-30)33-27(39)22(13-19-8-6-5-7-9-19)34-29(41)24(16-42-4)35-28(40)23-14-20(43-37-23)15-25-31-17-32-36-25/h5-9,14,17-18,21-22,24H,10-13,15-16H2,1-4H3,(H,33,39)(H,34,41)(H,35,40)(H,31,32,36)/t21-,22-,24-/m0/s1.

What are the key properties of N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide?

N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 593.69 g/mol, XLogP of 1.76, 16 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-5-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 59217688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).