5-ethoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide

C26H34N4O9 — CID 42638621

IUPAC5-ethoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCCOc1cc(C(=O)N[C@@H](COC)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)no1
InChIInChI=1S/C26H34N4O9/c1-5-37-21-12-18(30-39-21)23(32)28-20(14-36-4)25(34)29-19(13-35-3)24(33)27-17(22(31)26(2)15-38-26)11-16-9-7-6-8-10-16/h6-10,12,17,19-20H,5,11,13-15H2,1-4H3,(H,27,33)(H,28,32)(H,29,34)/t17-,19-,20-,26+/m0/s1
InChIKeyVWQJDKOLBFDKEY-USVZDYLCSA-N
MW546.58 g/mol
LogP0.03
Rot. Bonds16

About 5-ethoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide

5-ethoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 42638621) has the molecular formula C26H34N4O9 and a molecular weight of 546.58 g/mol. Its IUPAC name is 5-ethoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID42638621
Molecular FormulaC26H34N4O9
Molecular Weight546.58 g/mol
Exact Mass546.23
IUPAC Name5-ethoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCCOc1cc(C(=O)N[C@@H](COC)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)no1
InChIInChI=1S/C26H34N4O9/c1-5-37-21-12-18(30-39-21)23(32)28-20(14-36-4)25(34)29-19(13-35-3)24(33)27-17(22(31)26(2)15-38-26)11-16-9-7-6-8-10-16/h6-10,12,17,19-20H,5,11,13-15H2,1-4H3,(H,27,33)(H,28,32)(H,29,34)/t17-,19-,20-,26+/m0/s1
InChIKeyVWQJDKOLBFDKEY-USVZDYLCSA-N
XLogP0.03
TPSA170.62 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.58
LogP ≤ 50.03
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 5-ethoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-ethoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide (CID 42638621) is 5-ethoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-ethoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-ethoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide is CCOc1cc(C(=O)N[C@@H](COC)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)no1.
What is the InChIKey of 5-ethoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is VWQJDKOLBFDKEY-USVZDYLCSA-N. The full InChI is InChI=1S/C26H34N4O9/c1-5-37-21-12-18(30-39-21)23(32)28-20(14-36-4)25(34)29-19(13-35-3)24(33)27-17(22(31)26(2)15-38-26)11-16-9-7-6-8-10-16/h6-10,12,17,19-20H,5,11,13-15H2,1-4H3,(H,27,33)(H,28,32)(H,29,34)/t17-,19-,20-,26+/m0/s1.
What are the key properties of 5-ethoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
5-ethoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 546.58 g/mol, XLogP of 0.03, 16 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42638621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).