N-[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-4,5-dioxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide

C32H50N6O6 — CID 59911823

About N-[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-4,5-dioxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide

N-[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-4,5-dioxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide (PubChem CID 59911823) has the molecular formula C32H50N6O6 and a molecular weight of 614.79 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-4,5-dioxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-4,5-dioxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide
• PubChem CID: 59911823
• Molecular Formula: C32H50N6O6
• Molecular Weight: 614.79 g/mol
• Exact Mass: 614.38
• IUPAC Name: N-[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-4,5-dioxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide
• SMILES: CCC(C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(C)=O
• InChI: InChI=1S/C32H50N6O6/c1-7-20(5)27(38-30(42)24(16-19(3)4)36-31(43)26-18-33-14-15-34-26)32(44)37-25(17-22-12-10-9-11-13-22)29(41)35-23(8-2)28(40)21(6)39/h14-15,18-20,22-25,27H,7-13,16-17H2,1-6H3,(H,35,41)(H,36,43)(H,37,44)(H,38,42)/t20?,23-,24-,25-,27-/m0/s1
• InChIKey: QEFUVEHFZIHRAX-PGADWOJXSA-N
• XLogP: 2.66
• TPSA: 176.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	614.79
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-4,5-dioxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-4,5-dioxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide (CID 59911823) is N-[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-4,5-dioxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-4,5-dioxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-4,5-dioxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide is CCC(C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(C)=O.

What is the InChIKey of N-[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-4,5-dioxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide?

The InChIKey is QEFUVEHFZIHRAX-PGADWOJXSA-N. The full InChI is InChI=1S/C32H50N6O6/c1-7-20(5)27(38-30(42)24(16-19(3)4)36-31(43)26-18-33-14-15-34-26)32(44)37-25(17-22-12-10-9-11-13-22)29(41)35-23(8-2)28(40)21(6)39/h14-15,18-20,22-25,27H,7-13,16-17H2,1-6H3,(H,35,41)(H,36,43)(H,37,44)(H,38,42)/t20?,23-,24-,25-,27-/m0/s1.

What are the key properties of N-[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-4,5-dioxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide?

N-[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-4,5-dioxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide has a molecular weight of 614.79 g/mol, XLogP of 2.66, 17 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-4,5-dioxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 59911823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).