(2S)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid;technetium

C26H42N6O6Tc — CID 59408651

About (2S)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid;technetium

(2S)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid;technetium (PubChem CID 59408651) has the molecular formula C26H42N6O6Tc and a molecular weight of 632.66 g/mol. Its IUPAC name is (2S)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid;technetium.

Molecular Properties

• Compound Name: (2S)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid;technetium
• PubChem CID: 59408651
• Molecular Formula: C26H42N6O6Tc
• Molecular Weight: 632.66 g/mol
• Exact Mass: 631.22
• IUPAC Name: (2S)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid;technetium
• SMILES: CC(C)(C)OC(=O)Cn1ccnc1CN(CCCC[C@H](N)C(=O)O)Cc1nccn1CC(=O)OC(C)(C)C.[Tc]
• InChI: InChI=1S/C26H42N6O6.Tc/c1-25(2,3)37-22(33)17-31-13-10-28-20(31)15-30(12-8-7-9-19(27)24(35)36)16-21-29-11-14-32(21)18-23(34)38-26(4,5)6;/h10-11,13-14,19H,7-9,12,15-18,27H2,1-6H3,(H,35,36);/t19-;/m0./s1
• InChIKey: SHIKIVLMBWHMKS-FYZYNONXSA-N
• XLogP: 2.34
• TPSA: 154.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.66
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid;technetium?

The IUPAC name of (2S)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid;technetium (CID 59408651) is (2S)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid;technetium.

What is the SMILES notation for (2S)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid;technetium?

The canonical SMILES for (2S)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid;technetium is CC(C)(C)OC(=O)Cn1ccnc1CN(CCCC[C@H](N)C(=O)O)Cc1nccn1CC(=O)OC(C)(C)C.[Tc].

What is the InChIKey of (2S)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid;technetium?

The InChIKey is SHIKIVLMBWHMKS-FYZYNONXSA-N. The full InChI is InChI=1S/C26H42N6O6.Tc/c1-25(2,3)37-22(33)17-31-13-10-28-20(31)15-30(12-8-7-9-19(27)24(35)36)16-21-29-11-14-32(21)18-23(34)38-26(4,5)6;/h10-11,13-14,19H,7-9,12,15-18,27H2,1-6H3,(H,35,36);/t19-;/m0./s1.

What are the key properties of (2S)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid;technetium?

(2S)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid;technetium has a molecular weight of 632.66 g/mol, XLogP of 2.34, 14 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid;technetium is sourced from PubChem (CID 59408651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).