[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-benzamidopropanoate

C26H26N2O4 — CID 57393126

IUPAC[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-benzamidopropanoate
SMILESC[C@@H](NC(=O)c1ccccc1)C(=O)OC[C@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C26H26N2O4/c1-19(27-24(29)21-13-7-3-8-14-21)26(31)32-18-23(17-20-11-5-2-6-12-20)28-25(30)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3,(H,27,29)(H,28,30)/t19-,23+/m1/s1
InChIKeySXOJFGMXGDJOOS-XXBNENTESA-N
MW430.50 g/mol
LogP3.39
Rot. Bonds9

About [(2S)-2-benzamido-3-phenylpropyl] (2R)-2-benzamidopropanoate

[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-benzamidopropanoate (PubChem CID 57393126) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is [(2S)-2-benzamido-3-phenylpropyl] (2R)-2-benzamidopropanoate.

Molecular Properties

Compound Name[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-benzamidopropanoate
PubChem CID57393126
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-benzamidopropanoate
SMILESC[C@@H](NC(=O)c1ccccc1)C(=O)OC[C@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C26H26N2O4/c1-19(27-24(29)21-13-7-3-8-14-21)26(31)32-18-23(17-20-11-5-2-6-12-20)28-25(30)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3,(H,27,29)(H,28,30)/t19-,23+/m1/s1
InChIKeySXOJFGMXGDJOOS-XXBNENTESA-N
XLogP3.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-benzamido-3-phenylpropyl] (2R)-2-benzamidopropanoate?
The IUPAC name of [(2S)-2-benzamido-3-phenylpropyl] (2R)-2-benzamidopropanoate (CID 57393126) is [(2S)-2-benzamido-3-phenylpropyl] (2R)-2-benzamidopropanoate.
What is the SMILES notation for [(2S)-2-benzamido-3-phenylpropyl] (2R)-2-benzamidopropanoate?
The canonical SMILES for [(2S)-2-benzamido-3-phenylpropyl] (2R)-2-benzamidopropanoate is C[C@@H](NC(=O)c1ccccc1)C(=O)OC[C@H](Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of [(2S)-2-benzamido-3-phenylpropyl] (2R)-2-benzamidopropanoate?
The InChIKey is SXOJFGMXGDJOOS-XXBNENTESA-N. The full InChI is InChI=1S/C26H26N2O4/c1-19(27-24(29)21-13-7-3-8-14-21)26(31)32-18-23(17-20-11-5-2-6-12-20)28-25(30)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3,(H,27,29)(H,28,30)/t19-,23+/m1/s1.
What are the key properties of [(2S)-2-benzamido-3-phenylpropyl] (2R)-2-benzamidopropanoate?
[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-benzamidopropanoate has a molecular weight of 430.50 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-benzamido-3-phenylpropyl] (2R)-2-benzamidopropanoate is sourced from PubChem (CID 57393126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).