N-[2-[2-[2-[2-[2-[2-[[(2S)-5-amino-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide

C38H63N7O10 — CID 58975897

About N-[2-[2-[2-[2-[2-[2-[[(2S)-5-amino-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide

N-[2-[2-[2-[2-[2-[2-[[(2S)-5-amino-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide (PubChem CID 58975897) has the molecular formula C38H63N7O10 and a molecular weight of 777.96 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-[[(2S)-5-amino-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-[2-[2-[[(2S)-5-amino-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide
• PubChem CID: 58975897
• Molecular Formula: C38H63N7O10
• Molecular Weight: 777.96 g/mol
• Exact Mass: 777.46
• IUPAC Name: N-[2-[2-[2-[2-[2-[2-[[(2S)-5-amino-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide
• SMILES: CC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)C1CCCN1C(=O)[C@H](N)Cc1ccccc1
• InChI: InChI=1S/C38H63N7O10/c1-27(2)23-32(28(3)46)44-36(49)31(11-7-13-39)43-35(48)26-55-22-20-52-17-14-41-34(47)25-54-21-19-53-18-15-42-37(50)33-12-8-16-45(33)38(51)30(40)24-29-9-5-4-6-10-29/h4-6,9-10,27,30-33H,7-8,11-26,39-40H2,1-3H3,(H,41,47)(H,42,50)(H,43,48)(H,44,49)/t30-,31+,32+,33?/m1/s1
• InChIKey: RVSHORYNKRWCTP-XLEWBJRTSA-N
• XLogP: -0.81
• TPSA: 242.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 29
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	777.96
LogP ≤ 5	-0.81
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 N-[2-[2-[2-[2-[2-[2-[[(2S)-5-amino-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide?

The IUPAC name of N-[2-[2-[2-[2-[2-[2-[[(2S)-5-amino-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide (CID 58975897) is N-[2-[2-[2-[2-[2-[2-[[(2S)-5-amino-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-[[(2S)-5-amino-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide?

The canonical SMILES for N-[2-[2-[2-[2-[2-[2-[[(2S)-5-amino-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide is CC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)C1CCCN1C(=O)[C@H](N)Cc1ccccc1.

What is the InChIKey of N-[2-[2-[2-[2-[2-[2-[[(2S)-5-amino-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide?

The InChIKey is RVSHORYNKRWCTP-XLEWBJRTSA-N. The full InChI is InChI=1S/C38H63N7O10/c1-27(2)23-32(28(3)46)44-36(49)31(11-7-13-39)43-35(48)26-55-22-20-52-17-14-41-34(47)25-54-21-19-53-18-15-42-37(50)33-12-8-16-45(33)38(51)30(40)24-29-9-5-4-6-10-29/h4-6,9-10,27,30-33H,7-8,11-26,39-40H2,1-3H3,(H,41,47)(H,42,50)(H,43,48)(H,44,49)/t30-,31+,32+,33?/m1/s1.

What are the key properties of N-[2-[2-[2-[2-[2-[2-[[(2S)-5-amino-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide?

N-[2-[2-[2-[2-[2-[2-[[(2S)-5-amino-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide has a molecular weight of 777.96 g/mol, XLogP of -0.81, 29 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-[2-[2-[[(2S)-5-amino-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 58975897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).