N-[(2S)-1-[[(2S)-1-[(2S,3S,4R)-2-[[(2S)-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3,4-dipropylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrazine-2-carboxamide

C35H55N7O6 — CID 71160154

About N-[(2S)-1-[[(2S)-1-[(2S,3S,4R)-2-[[(2S)-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3,4-dipropylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrazine-2-carboxamide

N-[(2S)-1-[[(2S)-1-[(2S,3S,4R)-2-[[(2S)-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3,4-dipropylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrazine-2-carboxamide (PubChem CID 71160154) has the molecular formula C35H55N7O6 and a molecular weight of 669.87 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-[(2S,3S,4R)-2-[[(2S)-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3,4-dipropylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(2S)-1-[(2S,3S,4R)-2-[[(2S)-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3,4-dipropylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrazine-2-carboxamide
• PubChem CID: 71160154
• Molecular Formula: C35H55N7O6
• Molecular Weight: 669.87 g/mol
• Exact Mass: 669.42
• IUPAC Name: N-[(2S)-1-[[(2S)-1-[(2S,3S,4R)-2-[[(2S)-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3,4-dipropylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrazine-2-carboxamide
• SMILES: CCC[C@H]1CN(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c2cnccn2)C(C)(C)C)C(C)(C)C)[C@H](C(=O)N[C@@H](C)C(=O)C(=O)NC2CC2)[C@H]1CCC
• InChI: InChI=1S/C35H55N7O6/c1-10-12-21-19-42(25(23(21)13-11-2)30(45)38-20(3)26(43)31(46)39-22-14-15-22)33(48)28(35(7,8)9)41-32(47)27(34(4,5)6)40-29(44)24-18-36-16-17-37-24/h16-18,20-23,25,27-28H,10-15,19H2,1-9H3,(H,38,45)(H,39,46)(H,40,44)(H,41,47)/t20-,21-,23-,25-,27+,28+/m0/s1
• InChIKey: QHHWBJIXOWAEQE-MOKBENEYSA-N
• XLogP: 2.55
• TPSA: 179.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	669.87
LogP ≤ 5	2.55
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-[(2S)-1-[[(2S)-1-[(2S,3S,4R)-2-[[(2S)-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3,4-dipropylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[(2S)-1-[[(2S)-1-[(2S,3S,4R)-2-[[(2S)-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3,4-dipropylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrazine-2-carboxamide (CID 71160154) is N-[(2S)-1-[[(2S)-1-[(2S,3S,4R)-2-[[(2S)-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3,4-dipropylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[(2S)-1-[(2S,3S,4R)-2-[[(2S)-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3,4-dipropylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[[(2S)-1-[(2S,3S,4R)-2-[[(2S)-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3,4-dipropylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrazine-2-carboxamide is CCC[C@H]1CN(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c2cnccn2)C(C)(C)C)C(C)(C)C)[C@H](C(=O)N[C@@H](C)C(=O)C(=O)NC2CC2)[C@H]1CCC.

What is the InChIKey of N-[(2S)-1-[[(2S)-1-[(2S,3S,4R)-2-[[(2S)-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3,4-dipropylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrazine-2-carboxamide?

The InChIKey is QHHWBJIXOWAEQE-MOKBENEYSA-N. The full InChI is InChI=1S/C35H55N7O6/c1-10-12-21-19-42(25(23(21)13-11-2)30(45)38-20(3)26(43)31(46)39-22-14-15-22)33(48)28(35(7,8)9)41-32(47)27(34(4,5)6)40-29(44)24-18-36-16-17-37-24/h16-18,20-23,25,27-28H,10-15,19H2,1-9H3,(H,38,45)(H,39,46)(H,40,44)(H,41,47)/t20-,21-,23-,25-,27+,28+/m0/s1.

What are the key properties of N-[(2S)-1-[[(2S)-1-[(2S,3S,4R)-2-[[(2S)-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3,4-dipropylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrazine-2-carboxamide?

N-[(2S)-1-[[(2S)-1-[(2S,3S,4R)-2-[[(2S)-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3,4-dipropylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrazine-2-carboxamide has a molecular weight of 669.87 g/mol, XLogP of 2.55, 14 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,3S,4R)-2-[[(2S)-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3,4-dipropylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 71160154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).