fermium;methyl 2-[[2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoyl]amino]-6-(oxomethylamino)hexanoate;3-methyl-1H-indole

C24H36FmN5O5S- — CID 172574830

About fermium;methyl 2-[[2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoyl]amino]-6-(oxomethylamino)hexanoate;3-methyl-1H-indole

fermium;methyl 2-[[2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoyl]amino]-6-(oxomethylamino)hexanoate;3-methyl-1H-indole (PubChem CID 172574830) has the molecular formula C24H36FmN5O5S- and a molecular weight of 763.65 g/mol. Its IUPAC name is fermium;methyl 2-[[2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoyl]amino]-6-(oxomethylamino)hexanoate;3-methyl-1H-indole.

Molecular Properties

• Compound Name: fermium;methyl 2-[[2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoyl]amino]-6-(oxomethylamino)hexanoate;3-methyl-1H-indole
• PubChem CID: 172574830
• Molecular Formula: C24H36FmN5O5S-
• Molecular Weight: 763.65 g/mol
• Exact Mass: 763.34
• IUPAC Name: fermium;methyl 2-[[2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoyl]amino]-6-(oxomethylamino)hexanoate;3-methyl-1H-indole
• SMILES: COC(=O)C(CCCCN[C-]=O)NC(=O)C(CCSC)NC(=O)CN.Cc1c[nH]c2ccccc12.[Fm]
• InChI: InChI=1S/C15H27N4O5S.C9H9N.Fm/c1-24-15(23)12(5-3-4-7-17-10-20)19-14(22)11(6-8-25-2)18-13(21)9-16;1-7-6-10-9-5-3-2-4-8(7)9;/h11-12H,3-9,16H2,1-2H3,(H,17,20)(H,18,21)(H,19,22);2-6,10H,1H3;/q-1
• InChIKey: VGKCQMRHIKIUQS-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 155.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	763.65
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of fermium;methyl 2-[[2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoyl]amino]-6-(oxomethylamino)hexanoate;3-methyl-1H-indole?

The IUPAC name of fermium;methyl 2-[[2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoyl]amino]-6-(oxomethylamino)hexanoate;3-methyl-1H-indole (CID 172574830) is fermium;methyl 2-[[2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoyl]amino]-6-(oxomethylamino)hexanoate;3-methyl-1H-indole.

What is the SMILES notation for fermium;methyl 2-[[2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoyl]amino]-6-(oxomethylamino)hexanoate;3-methyl-1H-indole?

The canonical SMILES for fermium;methyl 2-[[2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoyl]amino]-6-(oxomethylamino)hexanoate;3-methyl-1H-indole is COC(=O)C(CCCCN[C-]=O)NC(=O)C(CCSC)NC(=O)CN.Cc1c[nH]c2ccccc12.[Fm].

What is the InChIKey of fermium;methyl 2-[[2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoyl]amino]-6-(oxomethylamino)hexanoate;3-methyl-1H-indole?

The InChIKey is VGKCQMRHIKIUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N4O5S.C9H9N.Fm/c1-24-15(23)12(5-3-4-7-17-10-20)19-14(22)11(6-8-25-2)18-13(21)9-16;1-7-6-10-9-5-3-2-4-8(7)9;/h11-12H,3-9,16H2,1-2H3,(H,17,20)(H,18,21)(H,19,22);2-6,10H,1H3;/q-1;;.

What are the key properties of fermium;methyl 2-[[2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoyl]amino]-6-(oxomethylamino)hexanoate;3-methyl-1H-indole?

fermium;methyl 2-[[2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoyl]amino]-6-(oxomethylamino)hexanoate;3-methyl-1H-indole has a molecular weight of 763.65 g/mol, XLogP of 1.14, 14 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for fermium;methyl 2-[[2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoyl]amino]-6-(oxomethylamino)hexanoate;3-methyl-1H-indole is sourced from PubChem (CID 172574830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).