methyl (2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]sulfamoylamino]-3-phenylpropanoate

C20H24N2O6S — CID 10717006

IUPACmethyl (2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]sulfamoylamino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)OC
InChIInChI=1S/C20H24N2O6S/c1-27-19(23)17(13-15-9-5-3-6-10-15)21-29(25,26)22-18(20(24)28-2)14-16-11-7-4-8-12-16/h3-12,17-18,21-22H,13-14H2,1-2H3/t17-,18-/m0/s1
InChIKeyCTRWLTYRKNJHEL-ROUUACIJSA-N
MW420.49 g/mol
LogP0.98
Rot. Bonds10

About methyl (2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]sulfamoylamino]-3-phenylpropanoate

methyl (2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]sulfamoylamino]-3-phenylpropanoate (PubChem CID 10717006) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is methyl (2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]sulfamoylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]sulfamoylamino]-3-phenylpropanoate
PubChem CID10717006
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Namemethyl (2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]sulfamoylamino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)OC
InChIInChI=1S/C20H24N2O6S/c1-27-19(23)17(13-15-9-5-3-6-10-15)21-29(25,26)22-18(20(24)28-2)14-16-11-7-4-8-12-16/h3-12,17-18,21-22H,13-14H2,1-2H3/t17-,18-/m0/s1
InChIKeyCTRWLTYRKNJHEL-ROUUACIJSA-N
XLogP0.98
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]sulfamoylamino]-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]sulfamoylamino]-3-phenylpropanoate (CID 10717006) is methyl (2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]sulfamoylamino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]sulfamoylamino]-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]sulfamoylamino]-3-phenylpropanoate is COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]sulfamoylamino]-3-phenylpropanoate?
The InChIKey is CTRWLTYRKNJHEL-ROUUACIJSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-27-19(23)17(13-15-9-5-3-6-10-15)21-29(25,26)22-18(20(24)28-2)14-16-11-7-4-8-12-16/h3-12,17-18,21-22H,13-14H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of methyl (2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]sulfamoylamino]-3-phenylpropanoate?
methyl (2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]sulfamoylamino]-3-phenylpropanoate has a molecular weight of 420.49 g/mol, XLogP of 0.98, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]sulfamoylamino]-3-phenylpropanoate is sourced from PubChem (CID 10717006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).