(2R)-2-[(2-aminoacetyl)amino]-N-[2-oxo-2-[[(2R)-1-oxo-3-sulfanylpropan-2-yl]amino]ethyl]-3-sulfanylpropanamide

C10H18N4O4S2 — CID 134817549

About (2R)-2-[(2-aminoacetyl)amino]-N-[2-oxo-2-[[(2R)-1-oxo-3-sulfanylpropan-2-yl]amino]ethyl]-3-sulfanylpropanamide

(2R)-2-[(2-aminoacetyl)amino]-N-[2-oxo-2-[[(2R)-1-oxo-3-sulfanylpropan-2-yl]amino]ethyl]-3-sulfanylpropanamide (PubChem CID 134817549) has the molecular formula C10H18N4O4S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2R)-2-[(2-aminoacetyl)amino]-N-[2-oxo-2-[[(2R)-1-oxo-3-sulfanylpropan-2-yl]amino]ethyl]-3-sulfanylpropanamide.

Molecular Properties

• Compound Name: (2R)-2-[(2-aminoacetyl)amino]-N-[2-oxo-2-[[(2R)-1-oxo-3-sulfanylpropan-2-yl]amino]ethyl]-3-sulfanylpropanamide
• PubChem CID: 134817549
• Molecular Formula: C10H18N4O4S2
• Molecular Weight: 322.41 g/mol
• Exact Mass: 322.08
• IUPAC Name: (2R)-2-[(2-aminoacetyl)amino]-N-[2-oxo-2-[[(2R)-1-oxo-3-sulfanylpropan-2-yl]amino]ethyl]-3-sulfanylpropanamide
• SMILES: NCC(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@H](C=O)CS
• InChI: InChI=1S/C10H18N4O4S2/c11-1-8(16)14-7(5-20)10(18)12-2-9(17)13-6(3-15)4-19/h3,6-7,19-20H,1-2,4-5,11H2,(H,12,18)(H,13,17)(H,14,16)/t6-,7+/m1/s1
• InChIKey: KEADZIDRLJNHQJ-RQJHMYQMSA-N
• XLogP: -2.91
• TPSA: 130.39 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	322.41
LogP ≤ 5	-2.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-aminoacetyl)amino]-N-[2-oxo-2-[[(2R)-1-oxo-3-sulfanylpropan-2-yl]amino]ethyl]-3-sulfanylpropanamide?

The IUPAC name of (2R)-2-[(2-aminoacetyl)amino]-N-[2-oxo-2-[[(2R)-1-oxo-3-sulfanylpropan-2-yl]amino]ethyl]-3-sulfanylpropanamide (CID 134817549) is (2R)-2-[(2-aminoacetyl)amino]-N-[2-oxo-2-[[(2R)-1-oxo-3-sulfanylpropan-2-yl]amino]ethyl]-3-sulfanylpropanamide.

What is the SMILES notation for (2R)-2-[(2-aminoacetyl)amino]-N-[2-oxo-2-[[(2R)-1-oxo-3-sulfanylpropan-2-yl]amino]ethyl]-3-sulfanylpropanamide?

The canonical SMILES for (2R)-2-[(2-aminoacetyl)amino]-N-[2-oxo-2-[[(2R)-1-oxo-3-sulfanylpropan-2-yl]amino]ethyl]-3-sulfanylpropanamide is NCC(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@H](C=O)CS.

What is the InChIKey of (2R)-2-[(2-aminoacetyl)amino]-N-[2-oxo-2-[[(2R)-1-oxo-3-sulfanylpropan-2-yl]amino]ethyl]-3-sulfanylpropanamide?

The InChIKey is KEADZIDRLJNHQJ-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H18N4O4S2/c11-1-8(16)14-7(5-20)10(18)12-2-9(17)13-6(3-15)4-19/h3,6-7,19-20H,1-2,4-5,11H2,(H,12,18)(H,13,17)(H,14,16)/t6-,7+/m1/s1.

What are the key properties of (2R)-2-[(2-aminoacetyl)amino]-N-[2-oxo-2-[[(2R)-1-oxo-3-sulfanylpropan-2-yl]amino]ethyl]-3-sulfanylpropanamide?

(2R)-2-[(2-aminoacetyl)amino]-N-[2-oxo-2-[[(2R)-1-oxo-3-sulfanylpropan-2-yl]amino]ethyl]-3-sulfanylpropanamide has a molecular weight of 322.41 g/mol, XLogP of -2.91, 9 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(2-aminoacetyl)amino]-N-[2-oxo-2-[[(2R)-1-oxo-3-sulfanylpropan-2-yl]amino]ethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 134817549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).