N-[(1S)-1-cyclohexyl-2-[[2-[(2S,3S)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide

C30H45N7O6 — CID 143353887

About N-[(1S)-1-cyclohexyl-2-[[2-[(2S,3S)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide

N-[(1S)-1-cyclohexyl-2-[[2-[(2S,3S)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 143353887) has the molecular formula C30H45N7O6 and a molecular weight of 599.73 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-[[2-[(2S,3S)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-cyclohexyl-2-[[2-[(2S,3S)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
• PubChem CID: 143353887
• Molecular Formula: C30H45N7O6
• Molecular Weight: 599.73 g/mol
• Exact Mass: 599.34
• IUPAC Name: N-[(1S)-1-cyclohexyl-2-[[2-[(2S,3S)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
• SMILES: CCC[C@H](NC(=O)[C@@H]1[C@@H](C)CCN1C(=O)CNC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(O)C(=O)NC1CC1
• InChI: InChI=1S/C30H45N7O6/c1-3-7-21(26(39)30(43)34-20-10-11-20)35-29(42)25-18(2)12-15-37(25)23(38)17-33-28(41)24(19-8-5-4-6-9-19)36-27(40)22-16-31-13-14-32-22/h13-14,16,18-21,24-26,39H,3-12,15,17H2,1-2H3,(H,33,41)(H,34,43)(H,35,42)(H,36,40)/t18-,21-,24-,25-,26?/m0/s1
• InChIKey: PJMINRUQLLIUIQ-FZTMHRLVSA-N
• XLogP: 0.43
• TPSA: 182.72 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.73
LogP ≤ 5	0.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-[[2-[(2S,3S)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide?

The IUPAC name of N-[(1S)-1-cyclohexyl-2-[[2-[(2S,3S)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide (CID 143353887) is N-[(1S)-1-cyclohexyl-2-[[2-[(2S,3S)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-[[2-[(2S,3S)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide?

The canonical SMILES for N-[(1S)-1-cyclohexyl-2-[[2-[(2S,3S)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide is CCC[C@H](NC(=O)[C@@H]1[C@@H](C)CCN1C(=O)CNC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(O)C(=O)NC1CC1.

What is the InChIKey of N-[(1S)-1-cyclohexyl-2-[[2-[(2S,3S)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide?

The InChIKey is PJMINRUQLLIUIQ-FZTMHRLVSA-N. The full InChI is InChI=1S/C30H45N7O6/c1-3-7-21(26(39)30(43)34-20-10-11-20)35-29(42)25-18(2)12-15-37(25)23(38)17-33-28(41)24(19-8-5-4-6-9-19)36-27(40)22-16-31-13-14-32-22/h13-14,16,18-21,24-26,39H,3-12,15,17H2,1-2H3,(H,33,41)(H,34,43)(H,35,42)(H,36,40)/t18-,21-,24-,25-,26?/m0/s1.

What are the key properties of N-[(1S)-1-cyclohexyl-2-[[2-[(2S,3S)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide?

N-[(1S)-1-cyclohexyl-2-[[2-[(2S,3S)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 599.73 g/mol, XLogP of 0.43, 13 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-cyclohexyl-2-[[2-[(2S,3S)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 143353887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).