N-[(1R)-2-[[(2R)-1-[3-[[(3S)-1-amino-1,2-dioxohexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide

C33H51N7O6 — CID 71129907

About N-[(1R)-2-[[(2R)-1-[3-[[(3S)-1-amino-1,2-dioxohexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide

N-[(1R)-2-[[(2R)-1-[3-[[(3S)-1-amino-1,2-dioxohexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 71129907) has the molecular formula C33H51N7O6 and a molecular weight of 641.81 g/mol. Its IUPAC name is N-[(1R)-2-[[(2R)-1-[3-[[(3S)-1-amino-1,2-dioxohexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-[[(2R)-1-[3-[[(3S)-1-amino-1,2-dioxohexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide
• PubChem CID: 71129907
• Molecular Formula: C33H51N7O6
• Molecular Weight: 641.81 g/mol
• Exact Mass: 641.39
• IUPAC Name: N-[(1R)-2-[[(2R)-1-[3-[[(3S)-1-amino-1,2-dioxohexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide
• SMILES: CCC[C@H](NC(=O)C1CN(C(=O)[C@H](NC(=O)[C@H](NC(=O)c2cnccn2)C2CCCCC2)C(C)(C)C)CC1C(C)C)C(=O)C(N)=O
• InChI: InChI=1S/C33H51N7O6/c1-7-11-23(26(41)28(34)42)37-29(43)22-18-40(17-21(22)19(2)3)32(46)27(33(4,5)6)39-31(45)25(20-12-9-8-10-13-20)38-30(44)24-16-35-14-15-36-24/h14-16,19-23,25,27H,7-13,17-18H2,1-6H3,(H2,34,42)(H,37,43)(H,38,44)(H,39,45)/t21?,22?,23-,25+,27-/m0/s1
• InChIKey: GAHKGIUAOUDFQV-NLKNEROSSA-N
• XLogP: 1.76
• TPSA: 193.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	641.81
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[[(2R)-1-[3-[[(3S)-1-amino-1,2-dioxohexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide?

The IUPAC name of N-[(1R)-2-[[(2R)-1-[3-[[(3S)-1-amino-1,2-dioxohexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide (CID 71129907) is N-[(1R)-2-[[(2R)-1-[3-[[(3S)-1-amino-1,2-dioxohexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[(1R)-2-[[(2R)-1-[3-[[(3S)-1-amino-1,2-dioxohexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide?

The canonical SMILES for N-[(1R)-2-[[(2R)-1-[3-[[(3S)-1-amino-1,2-dioxohexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide is CCC[C@H](NC(=O)C1CN(C(=O)[C@H](NC(=O)[C@H](NC(=O)c2cnccn2)C2CCCCC2)C(C)(C)C)CC1C(C)C)C(=O)C(N)=O.

What is the InChIKey of N-[(1R)-2-[[(2R)-1-[3-[[(3S)-1-amino-1,2-dioxohexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide?

The InChIKey is GAHKGIUAOUDFQV-NLKNEROSSA-N. The full InChI is InChI=1S/C33H51N7O6/c1-7-11-23(26(41)28(34)42)37-29(43)22-18-40(17-21(22)19(2)3)32(46)27(33(4,5)6)39-31(45)25(20-12-9-8-10-13-20)38-30(44)24-16-35-14-15-36-24/h14-16,19-23,25,27H,7-13,17-18H2,1-6H3,(H2,34,42)(H,37,43)(H,38,44)(H,39,45)/t21?,22?,23-,25+,27-/m0/s1.

What are the key properties of N-[(1R)-2-[[(2R)-1-[3-[[(3S)-1-amino-1,2-dioxohexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide?

N-[(1R)-2-[[(2R)-1-[3-[[(3S)-1-amino-1,2-dioxohexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 641.81 g/mol, XLogP of 1.76, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-[[(2R)-1-[3-[[(3S)-1-amino-1,2-dioxohexan-3-yl]carbamoyl]-4-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 71129907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).