(2S)-2-(arsorosoamino)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid

C10H16AsN3O7S — CID 141143008

About (2S)-2-(arsorosoamino)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid

(2S)-2-(arsorosoamino)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid (PubChem CID 141143008) has the molecular formula C10H16AsN3O7S and a molecular weight of 397.24 g/mol. Its IUPAC name is (2S)-2-(arsorosoamino)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (2S)-2-(arsorosoamino)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
• PubChem CID: 141143008
• Molecular Formula: C10H16AsN3O7S
• Molecular Weight: 397.24 g/mol
• Exact Mass: 396.99
• IUPAC Name: (2S)-2-(arsorosoamino)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
• SMILES: O=[As]N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O
• InChI: InChI=1S/C10H16AsN3O7S/c15-7(2-1-5(10(19)20)14-11-21)13-6(4-22)9(18)12-3-8(16)17/h5-6,22H,1-4H2,(H,12,18)(H,13,15)(H,14,21)(H,16,17)(H,19,20)/t5-,6-/m0/s1
• InChIKey: GGNWJYXSZIECIP-WDSKDSINSA-N
• XLogP: -2.61
• TPSA: 161.90 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.24
LogP ≤ 5	-2.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(arsorosoamino)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid?

The IUPAC name of (2S)-2-(arsorosoamino)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid (CID 141143008) is (2S)-2-(arsorosoamino)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid.

What is the SMILES notation for (2S)-2-(arsorosoamino)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid?

The canonical SMILES for (2S)-2-(arsorosoamino)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid is O=[As]N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O.

What is the InChIKey of (2S)-2-(arsorosoamino)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid?

The InChIKey is GGNWJYXSZIECIP-WDSKDSINSA-N. The full InChI is InChI=1S/C10H16AsN3O7S/c15-7(2-1-5(10(19)20)14-11-21)13-6(4-22)9(18)12-3-8(16)17/h5-6,22H,1-4H2,(H,12,18)(H,13,15)(H,14,21)(H,16,17)(H,19,20)/t5-,6-/m0/s1.

What are the key properties of (2S)-2-(arsorosoamino)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid?

(2S)-2-(arsorosoamino)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 397.24 g/mol, XLogP of -2.61, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(arsorosoamino)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 141143008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).