(2S)-2-aminopropanal;20-[[(1S)-1-carboxy-7-[2-[2-[2-[2-[2-[2-[[2-[(2R)-2-carboxypropyl]sulfanylacetyl]amino]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-4-oxoheptyl]amino]-20-oxoicosanoic acid;yttrium

C49H88N5O16SY- — CID 161425596

About (2S)-2-aminopropanal;20-[[(1S)-1-carboxy-7-[2-[2-[2-[2-[2-[2-[[2-[(2R)-2-carboxypropyl]sulfanylacetyl]amino]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-4-oxoheptyl]amino]-20-oxoicosanoic acid;yttrium

(2S)-2-aminopropanal;20-[[(1S)-1-carboxy-7-[2-[2-[2-[2-[2-[2-[[2-[(2R)-2-carboxypropyl]sulfanylacetyl]amino]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-4-oxoheptyl]amino]-20-oxoicosanoic acid;yttrium (PubChem CID 161425596) has the molecular formula C49H88N5O16SY- and a molecular weight of 1124.23 g/mol. Its IUPAC name is (2S)-2-aminopropanal;20-[[(1S)-1-carboxy-7-[2-[2-[2-[2-[2-[2-[[2-[(2R)-2-carboxypropyl]sulfanylacetyl]amino]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-4-oxoheptyl]amino]-20-oxoicosanoic acid;yttrium.

Molecular Properties

• Compound Name: (2S)-2-aminopropanal;20-[[(1S)-1-carboxy-7-[2-[2-[2-[2-[2-[2-[[2-[(2R)-2-carboxypropyl]sulfanylacetyl]amino]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-4-oxoheptyl]amino]-20-oxoicosanoic acid;yttrium
• PubChem CID: 161425596
• Molecular Formula: C49H88N5O16SY-
• Molecular Weight: 1124.23 g/mol
• Exact Mass: 1123.50
• IUPAC Name: (2S)-2-aminopropanal;20-[[(1S)-1-carboxy-7-[2-[2-[2-[2-[2-[2-[[2-[(2R)-2-carboxypropyl]sulfanylacetyl]amino]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-4-oxoheptyl]amino]-20-oxoicosanoic acid;yttrium
• SMILES: C[C@H](N)C=O.[CH2-][C@@H](CSCC(=O)NCCNC(=O)COCCOCCNC(=O)COCCOCCCC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O.[Y]
• InChI: InChI=1S/C46H81N4O15S.C3H7NO.Y/c1-37(45(58)59)35-66-36-43(55)48-25-24-47-41(53)33-65-32-30-63-28-26-49-42(54)34-64-31-29-62-27-18-19-38(51)22-23-39(46(60)61)50-40(52)20-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-44(56)57;1-3(4)2-5;/h37,39H,1-36H2,(H,47,53)(H,48,55)(H,49,54)(H,50,52)(H,56,57)(H,58,59)(H,60,61);2-3H,4H2,1H3;/q-1;;/t37-,39-;3-;/m00./s1
• InChIKey: YZCPWUJOYCZCAT-NLRKARTESA-N
• XLogP: 4.00
• TPSA: 325.38 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 50
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1124.23
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanal;20-[[(1S)-1-carboxy-7-[2-[2-[2-[2-[2-[2-[[2-[(2R)-2-carboxypropyl]sulfanylacetyl]amino]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-4-oxoheptyl]amino]-20-oxoicosanoic acid;yttrium?

The IUPAC name of (2S)-2-aminopropanal;20-[[(1S)-1-carboxy-7-[2-[2-[2-[2-[2-[2-[[2-[(2R)-2-carboxypropyl]sulfanylacetyl]amino]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-4-oxoheptyl]amino]-20-oxoicosanoic acid;yttrium (CID 161425596) is (2S)-2-aminopropanal;20-[[(1S)-1-carboxy-7-[2-[2-[2-[2-[2-[2-[[2-[(2R)-2-carboxypropyl]sulfanylacetyl]amino]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-4-oxoheptyl]amino]-20-oxoicosanoic acid;yttrium.

What is the SMILES notation for (2S)-2-aminopropanal;20-[[(1S)-1-carboxy-7-[2-[2-[2-[2-[2-[2-[[2-[(2R)-2-carboxypropyl]sulfanylacetyl]amino]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-4-oxoheptyl]amino]-20-oxoicosanoic acid;yttrium?

The canonical SMILES for (2S)-2-aminopropanal;20-[[(1S)-1-carboxy-7-[2-[2-[2-[2-[2-[2-[[2-[(2R)-2-carboxypropyl]sulfanylacetyl]amino]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-4-oxoheptyl]amino]-20-oxoicosanoic acid;yttrium is C[C@H](N)C=O.[CH2-][C@@H](CSCC(=O)NCCNC(=O)COCCOCCNC(=O)COCCOCCCC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O.[Y].

What is the InChIKey of (2S)-2-aminopropanal;20-[[(1S)-1-carboxy-7-[2-[2-[2-[2-[2-[2-[[2-[(2R)-2-carboxypropyl]sulfanylacetyl]amino]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-4-oxoheptyl]amino]-20-oxoicosanoic acid;yttrium?

The InChIKey is YZCPWUJOYCZCAT-NLRKARTESA-N. The full InChI is InChI=1S/C46H81N4O15S.C3H7NO.Y/c1-37(45(58)59)35-66-36-43(55)48-25-24-47-41(53)33-65-32-30-63-28-26-49-42(54)34-64-31-29-62-27-18-19-38(51)22-23-39(46(60)61)50-40(52)20-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-44(56)57;1-3(4)2-5;/h37,39H,1-36H2,(H,47,53)(H,48,55)(H,49,54)(H,50,52)(H,56,57)(H,58,59)(H,60,61);2-3H,4H2,1H3;/q-1;;/t37-,39-;3-;/m00./s1.

What are the key properties of (2S)-2-aminopropanal;20-[[(1S)-1-carboxy-7-[2-[2-[2-[2-[2-[2-[[2-[(2R)-2-carboxypropyl]sulfanylacetyl]amino]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-4-oxoheptyl]amino]-20-oxoicosanoic acid;yttrium?

(2S)-2-aminopropanal;20-[[(1S)-1-carboxy-7-[2-[2-[2-[2-[2-[2-[[2-[(2R)-2-carboxypropyl]sulfanylacetyl]amino]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-4-oxoheptyl]amino]-20-oxoicosanoic acid;yttrium has a molecular weight of 1124.23 g/mol, XLogP of 4.00, 50 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-aminopropanal;20-[[(1S)-1-carboxy-7-[2-[2-[2-[2-[2-[2-[[2-[(2R)-2-carboxypropyl]sulfanylacetyl]amino]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-4-oxoheptyl]amino]-20-oxoicosanoic acid;yttrium is sourced from PubChem (CID 161425596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).