N-[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-propylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methoxy-1-oxobutan-2-yl]pyrazine-2-carboxamide

C33H51N7O7 — CID 70884516

About N-[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-propylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methoxy-1-oxobutan-2-yl]pyrazine-2-carboxamide

N-[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-propylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methoxy-1-oxobutan-2-yl]pyrazine-2-carboxamide (PubChem CID 70884516) has the molecular formula C33H51N7O7 and a molecular weight of 657.81 g/mol. Its IUPAC name is N-[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-propylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methoxy-1-oxobutan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-propylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methoxy-1-oxobutan-2-yl]pyrazine-2-carboxamide
• PubChem CID: 70884516
• Molecular Formula: C33H51N7O7
• Molecular Weight: 657.81 g/mol
• Exact Mass: 657.38
• IUPAC Name: N-[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-propylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methoxy-1-oxobutan-2-yl]pyrazine-2-carboxamide
• SMILES: CCCC(NC(=O)[C@@H]1C(CCC)CCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)[C@@H](C)OC)C(C)(C)C)C(=O)C(=O)NC1CC1
• InChI: InChI=1S/C33H51N7O7/c1-8-10-20-14-17-40(25(20)30(44)37-22(11-9-2)26(41)31(45)36-21-12-13-21)32(46)27(33(4,5)6)39-29(43)24(19(3)47-7)38-28(42)23-18-34-15-16-35-23/h15-16,18-22,24-25,27H,8-14,17H2,1-7H3,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t19-,20?,22?,24+,25+,27-/m1/s1
• InChIKey: ORBXJXSRKGQZST-SYYAJNNESA-N
• XLogP: 1.29
• TPSA: 188.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	657.81
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-propylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methoxy-1-oxobutan-2-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-propylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methoxy-1-oxobutan-2-yl]pyrazine-2-carboxamide (CID 70884516) is N-[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-propylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methoxy-1-oxobutan-2-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-propylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methoxy-1-oxobutan-2-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-propylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methoxy-1-oxobutan-2-yl]pyrazine-2-carboxamide is CCCC(NC(=O)[C@@H]1C(CCC)CCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)[C@@H](C)OC)C(C)(C)C)C(=O)C(=O)NC1CC1.

What is the InChIKey of N-[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-propylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methoxy-1-oxobutan-2-yl]pyrazine-2-carboxamide?

The InChIKey is ORBXJXSRKGQZST-SYYAJNNESA-N. The full InChI is InChI=1S/C33H51N7O7/c1-8-10-20-14-17-40(25(20)30(44)37-22(11-9-2)26(41)31(45)36-21-12-13-21)32(46)27(33(4,5)6)39-29(43)24(19(3)47-7)38-28(42)23-18-34-15-16-35-23/h15-16,18-22,24-25,27H,8-14,17H2,1-7H3,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t19-,20?,22?,24+,25+,27-/m1/s1.

What are the key properties of N-[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-propylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methoxy-1-oxobutan-2-yl]pyrazine-2-carboxamide?

N-[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-propylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methoxy-1-oxobutan-2-yl]pyrazine-2-carboxamide has a molecular weight of 657.81 g/mol, XLogP of 1.29, 16 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-propylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methoxy-1-oxobutan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 70884516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).