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]-3-methyl-1,2-oxazole-5-carboxamide

C28H38N4O6 — CID 59217767

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]-3-methyl-1,2-oxazole-5-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]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 59217767) has the molecular formula C28H38N4O6 and a molecular weight of 526.63 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]-3-methyl-1,2-oxazole-5-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]-3-methyl-1,2-oxazole-5-carboxamide
• PubChem CID: 59217767
• Molecular Formula: C28H38N4O6
• Molecular Weight: 526.63 g/mol
• Exact Mass: 526.28
• 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]-3-methyl-1,2-oxazole-5-carboxamide
• SMILES: COC[C@H](NC(=O)c1cc(C)no1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1
• InChI: InChI=1S/C28H38N4O6/c1-17(2)13-20(24(33)28(4)11-12-28)29-25(34)21(15-19-9-7-6-8-10-19)30-26(35)22(16-37-5)31-27(36)23-14-18(3)32-38-23/h6-10,14,17,20-22H,11-13,15-16H2,1-5H3,(H,29,34)(H,30,35)(H,31,36)/t20-,21-,22-/m0/s1
• InChIKey: UXVUVUSVENVGSQ-FKBYEOEOSA-N
• XLogP: 2.36
• TPSA: 139.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.63
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

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]-3-methyl-1,2-oxazole-5-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]-3-methyl-1,2-oxazole-5-carboxamide (CID 59217767) 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]-3-methyl-1,2-oxazole-5-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]-3-methyl-1,2-oxazole-5-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]-3-methyl-1,2-oxazole-5-carboxamide is COC[C@H](NC(=O)c1cc(C)no1)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]-3-methyl-1,2-oxazole-5-carboxamide?

The InChIKey is UXVUVUSVENVGSQ-FKBYEOEOSA-N. The full InChI is InChI=1S/C28H38N4O6/c1-17(2)13-20(24(33)28(4)11-12-28)29-25(34)21(15-19-9-7-6-8-10-19)30-26(35)22(16-37-5)31-27(36)23-14-18(3)32-38-23/h6-10,14,17,20-22H,11-13,15-16H2,1-5H3,(H,29,34)(H,30,35)(H,31,36)/t20-,21-,22-/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]-3-methyl-1,2-oxazole-5-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]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 526.63 g/mol, XLogP of 2.36, 14 rotatable bonds, 3 hydrogen bond donors, and 7 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]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 59217767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).