3-methoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

C22H34N4O9 — CID 25126032

IUPAC3-methoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
SMILESCOC[C@H](NC(=O)c1cc(OC)no1)C(=O)N[C@@H](COC)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
InChIInChI=1S/C22H34N4O9/c1-12(2)7-13(18(27)22(3)11-34-22)23-19(28)14(9-31-4)24-20(29)15(10-32-5)25-21(30)16-8-17(33-6)26-35-16/h8,12-15H,7,9-11H2,1-6H3,(H,23,28)(H,24,29)(H,25,30)/t13-,14-,15-,22+/m0/s1
InChIKeyFXLGKDDPGGUZMS-GVRJUGSUSA-N
MW498.53 g/mol
LogP-0.55
Rot. Bonds15

About 3-methoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

3-methoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 25126032) has the molecular formula C22H34N4O9 and a molecular weight of 498.53 g/mol. Its IUPAC name is 3-methoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID25126032
Molecular FormulaC22H34N4O9
Molecular Weight498.53 g/mol
Exact Mass498.23
IUPAC Name3-methoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
SMILESCOC[C@H](NC(=O)c1cc(OC)no1)C(=O)N[C@@H](COC)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
InChIInChI=1S/C22H34N4O9/c1-12(2)7-13(18(27)22(3)11-34-22)23-19(28)14(9-31-4)24-20(29)15(10-32-5)25-21(30)16-8-17(33-6)26-35-16/h8,12-15H,7,9-11H2,1-6H3,(H,23,28)(H,24,29)(H,25,30)/t13-,14-,15-,22+/m0/s1
InChIKeyFXLGKDDPGGUZMS-GVRJUGSUSA-N
XLogP-0.55
TPSA170.62 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide (CID 25126032) is 3-methoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide is COC[C@H](NC(=O)c1cc(OC)no1)C(=O)N[C@@H](COC)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1.
What is the InChIKey of 3-methoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is FXLGKDDPGGUZMS-GVRJUGSUSA-N. The full InChI is InChI=1S/C22H34N4O9/c1-12(2)7-13(18(27)22(3)11-34-22)23-19(28)14(9-31-4)24-20(29)15(10-32-5)25-21(30)16-8-17(33-6)26-35-16/h8,12-15H,7,9-11H2,1-6H3,(H,23,28)(H,24,29)(H,25,30)/t13-,14-,15-,22+/m0/s1.
What are the key properties of 3-methoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide?
3-methoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 498.53 g/mol, XLogP of -0.55, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 25126032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).