2-[2-[[(2R)-6-amino-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]hexanoyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid

C34H43N7O8 — CID 102407666

About 2-[2-[[(2R)-6-amino-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]hexanoyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid

2-[2-[[(2R)-6-amino-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]hexanoyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid (PubChem CID 102407666) has the molecular formula C34H43N7O8 and a molecular weight of 677.76 g/mol. Its IUPAC name is 2-[2-[[(2R)-6-amino-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]hexanoyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[[(2R)-6-amino-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]hexanoyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid
• PubChem CID: 102407666
• Molecular Formula: C34H43N7O8
• Molecular Weight: 677.76 g/mol
• Exact Mass: 677.32
• IUPAC Name: 2-[2-[[(2R)-6-amino-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]hexanoyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid
• SMILES: Cc1cn(CC(=O)N(CCNC(=O)[C@@H](CCCCN)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)c(=O)[nH]c1=O
• InChI: InChI=1S/C34H43N7O8/c1-22-18-41(33(47)39-31(22)45)19-29(42)40(20-30(43)44)17-16-37-32(46)28(12-6-7-13-35)36-14-15-38-34(48)49-21-27-25-10-4-2-8-23(25)24-9-3-5-11-26(24)27/h2-5,8-11,18,27-28,36H,6-7,12-17,19-21,35H2,1H3,(H,37,46)(H,38,48)(H,43,44)(H,39,45,47)/t28-/m1/s1
• InChIKey: GYCRCCFVUYGOCN-MUUNZHRXSA-N
• XLogP: 0.50
• TPSA: 217.95 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.76
LogP ≤ 5	0.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2R)-6-amino-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]hexanoyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid?

The IUPAC name of 2-[2-[[(2R)-6-amino-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]hexanoyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid (CID 102407666) is 2-[2-[[(2R)-6-amino-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]hexanoyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid.

What is the SMILES notation for 2-[2-[[(2R)-6-amino-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]hexanoyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid?

The canonical SMILES for 2-[2-[[(2R)-6-amino-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]hexanoyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid is Cc1cn(CC(=O)N(CCNC(=O)[C@@H](CCCCN)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)c(=O)[nH]c1=O.

What is the InChIKey of 2-[2-[[(2R)-6-amino-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]hexanoyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid?

The InChIKey is GYCRCCFVUYGOCN-MUUNZHRXSA-N. The full InChI is InChI=1S/C34H43N7O8/c1-22-18-41(33(47)39-31(22)45)19-29(42)40(20-30(43)44)17-16-37-32(46)28(12-6-7-13-35)36-14-15-38-34(48)49-21-27-25-10-4-2-8-23(25)24-9-3-5-11-26(24)27/h2-5,8-11,18,27-28,36H,6-7,12-17,19-21,35H2,1H3,(H,37,46)(H,38,48)(H,43,44)(H,39,45,47)/t28-/m1/s1.

What are the key properties of 2-[2-[[(2R)-6-amino-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]hexanoyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid?

2-[2-[[(2R)-6-amino-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]hexanoyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid has a molecular weight of 677.76 g/mol, XLogP of 0.50, 18 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[(2R)-6-amino-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]hexanoyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 102407666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).