(2S)-2-[[(3S)-3-amino-4-(4-hydroxyphenyl)-2-oxobutyl]amino]-3-hydroxy-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide

C26H42N4O10 — CID 70994548

About (2S)-2-[[(3S)-3-amino-4-(4-hydroxyphenyl)-2-oxobutyl]amino]-3-hydroxy-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide

(2S)-2-[[(3S)-3-amino-4-(4-hydroxyphenyl)-2-oxobutyl]amino]-3-hydroxy-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 70994548) has the molecular formula C26H42N4O10 and a molecular weight of 570.64 g/mol. Its IUPAC name is (2S)-2-[[(3S)-3-amino-4-(4-hydroxyphenyl)-2-oxobutyl]amino]-3-hydroxy-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-[[(3S)-3-amino-4-(4-hydroxyphenyl)-2-oxobutyl]amino]-3-hydroxy-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide
• PubChem CID: 70994548
• Molecular Formula: C26H42N4O10
• Molecular Weight: 570.64 g/mol
• Exact Mass: 570.29
• IUPAC Name: (2S)-2-[[(3S)-3-amino-4-(4-hydroxyphenyl)-2-oxobutyl]amino]-3-hydroxy-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide
• SMILES: CC(=O)COCCOCCNC(=O)COCCOCCNC(=O)[C@H](CO)NCC(=O)[C@@H](N)Cc1ccc(O)cc1
• InChI: InChI=1S/C26H42N4O10/c1-19(32)17-39-12-10-37-8-6-28-25(35)18-40-13-11-38-9-7-29-26(36)23(16-31)30-15-24(34)22(27)14-20-2-4-21(33)5-3-20/h2-5,22-23,30-31,33H,6-18,27H2,1H3,(H,28,35)(H,29,36)/t22-,23-/m0/s1
• InChIKey: OMYNCGHGBUWWCH-GOTSBHOMSA-N
• XLogP: -2.33
• TPSA: 207.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	570.64
LogP ≤ 5	-2.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(3S)-3-amino-4-(4-hydroxyphenyl)-2-oxobutyl]amino]-3-hydroxy-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide?

The IUPAC name of (2S)-2-[[(3S)-3-amino-4-(4-hydroxyphenyl)-2-oxobutyl]amino]-3-hydroxy-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide (CID 70994548) is (2S)-2-[[(3S)-3-amino-4-(4-hydroxyphenyl)-2-oxobutyl]amino]-3-hydroxy-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide.

What is the SMILES notation for (2S)-2-[[(3S)-3-amino-4-(4-hydroxyphenyl)-2-oxobutyl]amino]-3-hydroxy-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide?

The canonical SMILES for (2S)-2-[[(3S)-3-amino-4-(4-hydroxyphenyl)-2-oxobutyl]amino]-3-hydroxy-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide is CC(=O)COCCOCCNC(=O)COCCOCCNC(=O)[C@H](CO)NCC(=O)[C@@H](N)Cc1ccc(O)cc1.

What is the InChIKey of (2S)-2-[[(3S)-3-amino-4-(4-hydroxyphenyl)-2-oxobutyl]amino]-3-hydroxy-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide?

The InChIKey is OMYNCGHGBUWWCH-GOTSBHOMSA-N. The full InChI is InChI=1S/C26H42N4O10/c1-19(32)17-39-12-10-37-8-6-28-25(35)18-40-13-11-38-9-7-29-26(36)23(16-31)30-15-24(34)22(27)14-20-2-4-21(33)5-3-20/h2-5,22-23,30-31,33H,6-18,27H2,1H3,(H,28,35)(H,29,36)/t22-,23-/m0/s1.

What are the key properties of (2S)-2-[[(3S)-3-amino-4-(4-hydroxyphenyl)-2-oxobutyl]amino]-3-hydroxy-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide?

(2S)-2-[[(3S)-3-amino-4-(4-hydroxyphenyl)-2-oxobutyl]amino]-3-hydroxy-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 570.64 g/mol, XLogP of -2.33, 24 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[(3S)-3-amino-4-(4-hydroxyphenyl)-2-oxobutyl]amino]-3-hydroxy-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 70994548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).