benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-1-morpholin-4-yl-1,2-dioxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate

C31H48N4O7 — CID 155522147

About benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-1-morpholin-4-yl-1,2-dioxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate

benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-1-morpholin-4-yl-1,2-dioxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate (PubChem CID 155522147) has the molecular formula C31H48N4O7 and a molecular weight of 588.75 g/mol. Its IUPAC name is benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-1-morpholin-4-yl-1,2-dioxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-1-morpholin-4-yl-1,2-dioxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
• PubChem CID: 155522147
• Molecular Formula: C31H48N4O7
• Molecular Weight: 588.75 g/mol
• Exact Mass: 588.35
• IUPAC Name: benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-1-morpholin-4-yl-1,2-dioxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
• SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)N1CCOCC1
• InChI: InChI=1S/C31H48N4O7/c1-20(2)16-24(27(36)30(39)35-12-14-41-15-13-35)32-28(37)25(17-21(3)4)33-29(38)26(18-22(5)6)34-31(40)42-19-23-10-8-7-9-11-23/h7-11,20-22,24-26H,12-19H2,1-6H3,(H,32,37)(H,33,38)(H,34,40)/t24-,25-,26-/m0/s1
• InChIKey: OSWGBHLYHMIZMH-GSDHBNRESA-N
• XLogP: 2.82
• TPSA: 143.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.75
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-1-morpholin-4-yl-1,2-dioxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate?

The IUPAC name of benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-1-morpholin-4-yl-1,2-dioxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate (CID 155522147) is benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-1-morpholin-4-yl-1,2-dioxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate.

What is the SMILES notation for benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-1-morpholin-4-yl-1,2-dioxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate?

The canonical SMILES for benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-1-morpholin-4-yl-1,2-dioxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)N1CCOCC1.

What is the InChIKey of benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-1-morpholin-4-yl-1,2-dioxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate?

The InChIKey is OSWGBHLYHMIZMH-GSDHBNRESA-N. The full InChI is InChI=1S/C31H48N4O7/c1-20(2)16-24(27(36)30(39)35-12-14-41-15-13-35)32-28(37)25(17-21(3)4)33-29(38)26(18-22(5)6)34-31(40)42-19-23-10-8-7-9-11-23/h7-11,20-22,24-26H,12-19H2,1-6H3,(H,32,37)(H,33,38)(H,34,40)/t24-,25-,26-/m0/s1.

What are the key properties of benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-1-morpholin-4-yl-1,2-dioxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate?

benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-1-morpholin-4-yl-1,2-dioxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate has a molecular weight of 588.75 g/mol, XLogP of 2.82, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-1-morpholin-4-yl-1,2-dioxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 155522147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).