N-(3-amino-1-cyclopropylsulfanyl-2,3-dioxopropyl)-1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;2-methylpropane;propane

C30H56N6O6S — CID 143102290

About N-(3-amino-1-cyclopropylsulfanyl-2,3-dioxopropyl)-1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;2-methylpropane;propane

N-(3-amino-1-cyclopropylsulfanyl-2,3-dioxopropyl)-1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;2-methylpropane;propane (PubChem CID 143102290) has the molecular formula C30H56N6O6S and a molecular weight of 628.88 g/mol. Its IUPAC name is N-(3-amino-1-cyclopropylsulfanyl-2,3-dioxopropyl)-1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;2-methylpropane;propane.

Molecular Properties

• Compound Name: N-(3-amino-1-cyclopropylsulfanyl-2,3-dioxopropyl)-1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;2-methylpropane;propane
• PubChem CID: 143102290
• Molecular Formula: C30H56N6O6S
• Molecular Weight: 628.88 g/mol
• Exact Mass: 628.40
• IUPAC Name: N-(3-amino-1-cyclopropylsulfanyl-2,3-dioxopropyl)-1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;2-methylpropane;propane
• SMILES: CC(C)C.CC(C)NC(=O)CNC(=O)NC(C(=O)N1CCCC1C(=O)NC(SC1CC1)C(=O)C(N)=O)C(C)(C)C.CCC
• InChI: InChI=1S/C23H38N6O6S.C4H10.C3H8/c1-12(2)26-15(30)11-25-22(35)27-17(23(3,4)5)21(34)29-10-6-7-14(29)19(33)28-20(16(31)18(24)32)36-13-8-9-13;1-4(2)3;1-3-2/h12-14,17,20H,6-11H2,1-5H3,(H2,24,32)(H,26,30)(H,28,33)(H2,25,27,35);4H,1-3H3;3H2,1-2H3
• InChIKey: GAHAOUMOZCQXNY-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 179.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	628.88
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1-cyclopropylsulfanyl-2,3-dioxopropyl)-1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;2-methylpropane;propane?

The IUPAC name of N-(3-amino-1-cyclopropylsulfanyl-2,3-dioxopropyl)-1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;2-methylpropane;propane (CID 143102290) is N-(3-amino-1-cyclopropylsulfanyl-2,3-dioxopropyl)-1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;2-methylpropane;propane.

What is the SMILES notation for N-(3-amino-1-cyclopropylsulfanyl-2,3-dioxopropyl)-1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;2-methylpropane;propane?

The canonical SMILES for N-(3-amino-1-cyclopropylsulfanyl-2,3-dioxopropyl)-1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;2-methylpropane;propane is CC(C)C.CC(C)NC(=O)CNC(=O)NC(C(=O)N1CCCC1C(=O)NC(SC1CC1)C(=O)C(N)=O)C(C)(C)C.CCC.

What is the InChIKey of N-(3-amino-1-cyclopropylsulfanyl-2,3-dioxopropyl)-1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;2-methylpropane;propane?

The InChIKey is GAHAOUMOZCQXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N6O6S.C4H10.C3H8/c1-12(2)26-15(30)11-25-22(35)27-17(23(3,4)5)21(34)29-10-6-7-14(29)19(33)28-20(16(31)18(24)32)36-13-8-9-13;1-4(2)3;1-3-2/h12-14,17,20H,6-11H2,1-5H3,(H2,24,32)(H,26,30)(H,28,33)(H2,25,27,35);4H,1-3H3;3H2,1-2H3.

What are the key properties of N-(3-amino-1-cyclopropylsulfanyl-2,3-dioxopropyl)-1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;2-methylpropane;propane?

N-(3-amino-1-cyclopropylsulfanyl-2,3-dioxopropyl)-1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;2-methylpropane;propane has a molecular weight of 628.88 g/mol, XLogP of 2.69, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-amino-1-cyclopropylsulfanyl-2,3-dioxopropyl)-1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]pyrrolidine-2-carboxamide;2-methylpropane;propane is sourced from PubChem (CID 143102290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).