(2S)-N-[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide;3-methylpyridine;molecular hydrogen

C₂₉H₄₅N₅O₆ — CID 144719603

About (2S)-N-[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide;3-methylpyridine;molecular hydrogen

(2S)-N-[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide;3-methylpyridine;molecular hydrogen (PubChem CID 144719603) has the molecular formula C₂₉H₄₅N₅O₆ and a molecular weight of 559.71 g/mol. Its IUPAC name is (2S)-N-[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide;3-methylpyridine;molecular hydrogen.

Molecular Properties

• Compound Name: (2S)-N-[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide;3-methylpyridine;molecular hydrogen
• PubChem CID: 144719603
• Molecular Formula: C₂₉H₄₅N₅O₆
• Molecular Weight: 559.71 g/mol
• Exact Mass: 559.34
• IUPAC Name: (2S)-N-[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide;3-methylpyridine;molecular hydrogen
• SMILES: C[C@H](NC(=O)CN1CCOCC1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1.Cc1cccnc1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C23H32N4O6.C6H7N.3H2/c1-16(25-20(29)14-27-8-10-32-11-9-27)22(31)24-13-19(28)26-18(21(30)23(2)15-33-23)12-17-6-4-3-5-7-17;1-6-3-2-4-7-5-6;;;/h3-7,16,18H,8-15H2,1-2H3,(H,24,31)(H,25,29)(H,26,28);2-5H,1H3;3*1H/t16-,18-,23+;;;;/m0..../s1
• InChIKey: VDRILNSXXQNMAC-PDWRBWPPSA-N
• XLogP: 1.15
• TPSA: 142.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.71
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	3
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 (2S)-N-[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide;3-methylpyridine;molecular hydrogen?

The IUPAC name of (2S)-N-[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide;3-methylpyridine;molecular hydrogen (CID 144719603) is (2S)-N-[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide;3-methylpyridine;molecular hydrogen.

What is the SMILES notation for (2S)-N-[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide;3-methylpyridine;molecular hydrogen?

The canonical SMILES for (2S)-N-[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide;3-methylpyridine;molecular hydrogen is C[C@H](NC(=O)CN1CCOCC1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1.Cc1cccnc1.[H][H].[H][H].[H][H].

What is the InChIKey of (2S)-N-[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide;3-methylpyridine;molecular hydrogen?

The InChIKey is VDRILNSXXQNMAC-PDWRBWPPSA-N. The full InChI is InChI=1S/C23H32N4O6.C6H7N.3H2/c1-16(25-20(29)14-27-8-10-32-11-9-27)22(31)24-13-19(28)26-18(21(30)23(2)15-33-23)12-17-6-4-3-5-7-17;1-6-3-2-4-7-5-6;;;/h3-7,16,18H,8-15H2,1-2H3,(H,24,31)(H,25,29)(H,26,28);2-5H,1H3;3*1H/t16-,18-,23+;;;;/m0..../s1.

What are the key properties of (2S)-N-[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide;3-methylpyridine;molecular hydrogen?

(2S)-N-[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide;3-methylpyridine;molecular hydrogen has a molecular weight of 559.71 g/mol, XLogP of 1.15, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[2-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide;3-methylpyridine;molecular hydrogen is sourced from PubChem (CID 144719603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 144719603 — identifiers, structure, computed properties (public domain)

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