(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-(tritylamino)pentanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]-5-oxo-5-(tritylamino)pentanoyl]amino]-5-oxopentanoic acid

C76H74N8O9 — CID 175863110

About (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-(tritylamino)pentanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]-5-oxo-5-(tritylamino)pentanoyl]amino]-5-oxopentanoic acid

(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-(tritylamino)pentanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]-5-oxo-5-(tritylamino)pentanoyl]amino]-5-oxopentanoic acid (PubChem CID 175863110) has the molecular formula C76H74N8O9 and a molecular weight of 1243.48 g/mol. Its IUPAC name is (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-(tritylamino)pentanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]-5-oxo-5-(tritylamino)pentanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-(tritylamino)pentanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]-5-oxo-5-(tritylamino)pentanoyl]amino]-5-oxopentanoic acid
• PubChem CID: 175863110
• Molecular Formula: C76H74N8O9
• Molecular Weight: 1243.48 g/mol
• Exact Mass: 1242.56
• IUPAC Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-(tritylamino)pentanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]-5-oxo-5-(tritylamino)pentanoyl]amino]-5-oxopentanoic acid
• SMILES: NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@@H](N)CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
• InChI: InChI=1S/C76H74N8O9/c77-62(46-50-67(86)82-74(53-28-10-1-11-29-53,54-30-12-2-13-31-54)55-32-14-3-15-33-55)70(89)81-65(52-69(88)84-76(59-40-22-7-23-41-59,60-42-24-8-25-43-60)61-44-26-9-27-45-61)72(91)79-63(71(90)80-64(73(92)93)47-49-66(78)85)48-51-68(87)83-75(56-34-16-4-17-35-56,57-36-18-5-19-37-57)58-38-20-6-21-39-58/h1-45,62-65H,46-52,77H2,(H2,78,85)(H,79,91)(H,80,90)(H,81,89)(H,82,86)(H,83,87)(H,84,88)(H,92,93)/t62-,63-,64-,65-/m0/s1
• InChIKey: AAQHSHPLPGAZGT-YKIMTJKASA-N
• XLogP: 8.39
• TPSA: 281.01 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 9
• Rotatable Bonds: 30
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1243.48
LogP ≤ 5	8.39
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-(tritylamino)pentanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]-5-oxo-5-(tritylamino)pentanoyl]amino]-5-oxopentanoic acid?

The IUPAC name of (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-(tritylamino)pentanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]-5-oxo-5-(tritylamino)pentanoyl]amino]-5-oxopentanoic acid (CID 175863110) is (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-(tritylamino)pentanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]-5-oxo-5-(tritylamino)pentanoyl]amino]-5-oxopentanoic acid.

What is the SMILES notation for (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-(tritylamino)pentanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]-5-oxo-5-(tritylamino)pentanoyl]amino]-5-oxopentanoic acid?

The canonical SMILES for (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-(tritylamino)pentanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]-5-oxo-5-(tritylamino)pentanoyl]amino]-5-oxopentanoic acid is NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@@H](N)CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.

What is the InChIKey of (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-(tritylamino)pentanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]-5-oxo-5-(tritylamino)pentanoyl]amino]-5-oxopentanoic acid?

The InChIKey is AAQHSHPLPGAZGT-YKIMTJKASA-N. The full InChI is InChI=1S/C76H74N8O9/c77-62(46-50-67(86)82-74(53-28-10-1-11-29-53,54-30-12-2-13-31-54)55-32-14-3-15-33-55)70(89)81-65(52-69(88)84-76(59-40-22-7-23-41-59,60-42-24-8-25-43-60)61-44-26-9-27-45-61)72(91)79-63(71(90)80-64(73(92)93)47-49-66(78)85)48-51-68(87)83-75(56-34-16-4-17-35-56,57-36-18-5-19-37-57)58-38-20-6-21-39-58/h1-45,62-65H,46-52,77H2,(H2,78,85)(H,79,91)(H,80,90)(H,81,89)(H,82,86)(H,83,87)(H,84,88)(H,92,93)/t62-,63-,64-,65-/m0/s1.

What are the key properties of (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-(tritylamino)pentanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]-5-oxo-5-(tritylamino)pentanoyl]amino]-5-oxopentanoic acid?

(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-(tritylamino)pentanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]-5-oxo-5-(tritylamino)pentanoyl]amino]-5-oxopentanoic acid has a molecular weight of 1243.48 g/mol, XLogP of 8.39, 30 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-(tritylamino)pentanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]-5-oxo-5-(tritylamino)pentanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 175863110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).