(2S,3S,4S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxycarbonylamino)pentanoic acid

C34H35NO7 — CID 25191684

IUPAC(2S,3S,4S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxycarbonylamino)pentanoic acid
SMILESO=C(N[C@H](C(=O)O)[C@H](OCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C34H35NO7/c36-33(37)31(35-34(38)42-24-29-19-11-4-12-20-29)32(41-23-28-17-9-3-10-18-28)30(40-22-27-15-7-2-8-16-27)25-39-21-26-13-5-1-6-14-26/h1-20,30-32H,21-25H2,(H,35,38)(H,36,37)/t30-,31-,32+/m0/s1
InChIKeyIZSUTBHIQLBXKD-OWHBQTKESA-N
MW569.65 g/mol
LogP5.75
Rot. Bonds16

About (2S,3S,4S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxycarbonylamino)pentanoic acid

(2S,3S,4S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxycarbonylamino)pentanoic acid (PubChem CID 25191684) has the molecular formula C34H35NO7 and a molecular weight of 569.65 g/mol. Its IUPAC name is (2S,3S,4S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S,3S,4S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxycarbonylamino)pentanoic acid
PubChem CID25191684
Molecular FormulaC34H35NO7
Molecular Weight569.65 g/mol
Exact Mass569.24
IUPAC Name(2S,3S,4S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxycarbonylamino)pentanoic acid
SMILESO=C(N[C@H](C(=O)O)[C@H](OCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C34H35NO7/c36-33(37)31(35-34(38)42-24-29-19-11-4-12-20-29)32(41-23-28-17-9-3-10-18-28)30(40-22-27-15-7-2-8-16-27)25-39-21-26-13-5-1-6-14-26/h1-20,30-32H,21-25H2,(H,35,38)(H,36,37)/t30-,31-,32+/m0/s1
InChIKeyIZSUTBHIQLBXKD-OWHBQTKESA-N
XLogP5.75
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.65
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of (2S,3S,4S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxycarbonylamino)pentanoic acid (CID 25191684) is (2S,3S,4S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for (2S,3S,4S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for (2S,3S,4S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxycarbonylamino)pentanoic acid is O=C(N[C@H](C(=O)O)[C@H](OCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2S,3S,4S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxycarbonylamino)pentanoic acid?
The InChIKey is IZSUTBHIQLBXKD-OWHBQTKESA-N. The full InChI is InChI=1S/C34H35NO7/c36-33(37)31(35-34(38)42-24-29-19-11-4-12-20-29)32(41-23-28-17-9-3-10-18-28)30(40-22-27-15-7-2-8-16-27)25-39-21-26-13-5-1-6-14-26/h1-20,30-32H,21-25H2,(H,35,38)(H,36,37)/t30-,31-,32+/m0/s1.
What are the key properties of (2S,3S,4S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxycarbonylamino)pentanoic acid?
(2S,3S,4S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxycarbonylamino)pentanoic acid has a molecular weight of 569.65 g/mol, XLogP of 5.75, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 25191684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).