benzyl N-[(2S)-4-naphthalen-1-yl-1-oxo-1-[[2-oxo-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]ethyl]amino]butan-2-yl]carbamate;2-methylpropane;molecular hydrogen

C35H52N4O6 — CID 155736191

About benzyl N-[(2S)-4-naphthalen-1-yl-1-oxo-1-[[2-oxo-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]ethyl]amino]butan-2-yl]carbamate;2-methylpropane;molecular hydrogen

benzyl N-[(2S)-4-naphthalen-1-yl-1-oxo-1-[[2-oxo-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]ethyl]amino]butan-2-yl]carbamate;2-methylpropane;molecular hydrogen (PubChem CID 155736191) has the molecular formula C35H52N4O6 and a molecular weight of 624.82 g/mol. Its IUPAC name is benzyl N-[(2S)-4-naphthalen-1-yl-1-oxo-1-[[2-oxo-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]ethyl]amino]butan-2-yl]carbamate;2-methylpropane;molecular hydrogen.

Molecular Properties

• Compound Name: benzyl N-[(2S)-4-naphthalen-1-yl-1-oxo-1-[[2-oxo-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]ethyl]amino]butan-2-yl]carbamate;2-methylpropane;molecular hydrogen
• PubChem CID: 155736191
• Molecular Formula: C35H52N4O6
• Molecular Weight: 624.82 g/mol
• Exact Mass: 624.39
• IUPAC Name: benzyl N-[(2S)-4-naphthalen-1-yl-1-oxo-1-[[2-oxo-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]ethyl]amino]butan-2-yl]carbamate;2-methylpropane;molecular hydrogen
• SMILES: CC(C)C.O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)CNC(=O)[C@H](CCc1cccc2ccccc12)NC(=O)OCc1ccccc1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C31H34N4O6.C4H10.4H2/c36-19-25(17-24-15-16-32-29(24)38)34-28(37)18-33-30(39)27(35-31(40)41-20-21-7-2-1-3-8-21)14-13-23-11-6-10-22-9-4-5-12-26(22)23;1-4(2)3;;;;/h1-12,19,24-25,27H,13-18,20H2,(H,32,38)(H,33,39)(H,34,37)(H,35,40);4H,1-3H3;4*1H/t24-,25-,27-;;;;;/m0...../s1
• InChIKey: MARRZYRAUSTVGJ-QMLXSTOZSA-N
• XLogP: 5.04
• TPSA: 142.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.82
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-4-naphthalen-1-yl-1-oxo-1-[[2-oxo-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]ethyl]amino]butan-2-yl]carbamate;2-methylpropane;molecular hydrogen?

The IUPAC name of benzyl N-[(2S)-4-naphthalen-1-yl-1-oxo-1-[[2-oxo-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]ethyl]amino]butan-2-yl]carbamate;2-methylpropane;molecular hydrogen (CID 155736191) is benzyl N-[(2S)-4-naphthalen-1-yl-1-oxo-1-[[2-oxo-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]ethyl]amino]butan-2-yl]carbamate;2-methylpropane;molecular hydrogen.

What is the SMILES notation for benzyl N-[(2S)-4-naphthalen-1-yl-1-oxo-1-[[2-oxo-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]ethyl]amino]butan-2-yl]carbamate;2-methylpropane;molecular hydrogen?

The canonical SMILES for benzyl N-[(2S)-4-naphthalen-1-yl-1-oxo-1-[[2-oxo-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]ethyl]amino]butan-2-yl]carbamate;2-methylpropane;molecular hydrogen is CC(C)C.O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)CNC(=O)[C@H](CCc1cccc2ccccc12)NC(=O)OCc1ccccc1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of benzyl N-[(2S)-4-naphthalen-1-yl-1-oxo-1-[[2-oxo-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]ethyl]amino]butan-2-yl]carbamate;2-methylpropane;molecular hydrogen?

The InChIKey is MARRZYRAUSTVGJ-QMLXSTOZSA-N. The full InChI is InChI=1S/C31H34N4O6.C4H10.4H2/c36-19-25(17-24-15-16-32-29(24)38)34-28(37)18-33-30(39)27(35-31(40)41-20-21-7-2-1-3-8-21)14-13-23-11-6-10-22-9-4-5-12-26(22)23;1-4(2)3;;;;/h1-12,19,24-25,27H,13-18,20H2,(H,32,38)(H,33,39)(H,34,37)(H,35,40);4H,1-3H3;4*1H/t24-,25-,27-;;;;;/m0...../s1.

What are the key properties of benzyl N-[(2S)-4-naphthalen-1-yl-1-oxo-1-[[2-oxo-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]ethyl]amino]butan-2-yl]carbamate;2-methylpropane;molecular hydrogen?

benzyl N-[(2S)-4-naphthalen-1-yl-1-oxo-1-[[2-oxo-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]ethyl]amino]butan-2-yl]carbamate;2-methylpropane;molecular hydrogen has a molecular weight of 624.82 g/mol, XLogP of 5.04, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(2S)-4-naphthalen-1-yl-1-oxo-1-[[2-oxo-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]ethyl]amino]butan-2-yl]carbamate;2-methylpropane;molecular hydrogen is sourced from PubChem (CID 155736191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).