[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-benzamido-4-methylpentanoate

C29H32N2O4 — CID 138756208

IUPAC[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-benzamido-4-methylpentanoate
SMILESCC(C)C[C@H](NC(=O)c1ccccc1)C(=O)OC[C@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C29H32N2O4/c1-21(2)18-26(31-28(33)24-16-10-5-11-17-24)29(34)35-20-25(19-22-12-6-3-7-13-22)30-27(32)23-14-8-4-9-15-23/h3-17,21,25-26H,18-20H2,1-2H3,(H,30,32)(H,31,33)/t25-,26-/m0/s1
InChIKeyJOOSAYNHLJGJCN-UIOOFZCWSA-N
MW472.59 g/mol
LogP4.42
Rot. Bonds11

About [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-benzamido-4-methylpentanoate

[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-benzamido-4-methylpentanoate (PubChem CID 138756208) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-benzamido-4-methylpentanoate.

Molecular Properties

Compound Name[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-benzamido-4-methylpentanoate
PubChem CID138756208
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC Name[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-benzamido-4-methylpentanoate
SMILESCC(C)C[C@H](NC(=O)c1ccccc1)C(=O)OC[C@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C29H32N2O4/c1-21(2)18-26(31-28(33)24-16-10-5-11-17-24)29(34)35-20-25(19-22-12-6-3-7-13-22)30-27(32)23-14-8-4-9-15-23/h3-17,21,25-26H,18-20H2,1-2H3,(H,30,32)(H,31,33)/t25-,26-/m0/s1
InChIKeyJOOSAYNHLJGJCN-UIOOFZCWSA-N
XLogP4.42
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.42
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] (2S)-2-benzamido-4-methylpentanoate?
The IUPAC name of [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-benzamido-4-methylpentanoate (CID 138756208) is [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-benzamido-4-methylpentanoate.
What is the SMILES notation for [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-benzamido-4-methylpentanoate?
The canonical SMILES for [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-benzamido-4-methylpentanoate is CC(C)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] (2S)-2-benzamido-4-methylpentanoate?
The InChIKey is JOOSAYNHLJGJCN-UIOOFZCWSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-21(2)18-26(31-28(33)24-16-10-5-11-17-24)29(34)35-20-25(19-22-12-6-3-7-13-22)30-27(32)23-14-8-4-9-15-23/h3-17,21,25-26H,18-20H2,1-2H3,(H,30,32)(H,31,33)/t25-,26-/m0/s1.
What are the key properties of [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-benzamido-4-methylpentanoate?
[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-benzamido-4-methylpentanoate has a molecular weight of 472.59 g/mol, XLogP of 4.42, 11 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] (2S)-2-benzamido-4-methylpentanoate is sourced from PubChem (CID 138756208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).