5-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]amino]butan-2-yl]-1,2-oxazole-3-carboxamide

C26H33N5O6 — CID 145343859

IUPAC5-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]amino]butan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)C(C)C)no1
InChIInChI=1S/C26H33N5O6/c1-15(2)22(30-25(35)21-11-16(3)37-31-21)26(36)29-20(12-17-7-5-4-6-8-17)24(34)28-19(14-32)13-18-9-10-27-23(18)33/h4-8,11,14-15,18-20,22H,9-10,12-13H2,1-3H3,(H,27,33)(H,28,34)(H,29,36)(H,30,35)/t18-,19-,20-,22-/m0/s1
InChIKeyGXGOVLGROSYUMC-XWUOBKMESA-N
MW511.58 g/mol
LogP0.67
Rot. Bonds12

About 5-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]amino]butan-2-yl]-1,2-oxazole-3-carboxamide

5-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]amino]butan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 145343859) has the molecular formula C26H33N5O6 and a molecular weight of 511.58 g/mol. Its IUPAC name is 5-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]amino]butan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]amino]butan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID145343859
Molecular FormulaC26H33N5O6
Molecular Weight511.58 g/mol
Exact Mass511.24
IUPAC Name5-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]amino]butan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)C(C)C)no1
InChIInChI=1S/C26H33N5O6/c1-15(2)22(30-25(35)21-11-16(3)37-31-21)26(36)29-20(12-17-7-5-4-6-8-17)24(34)28-19(14-32)13-18-9-10-27-23(18)33/h4-8,11,14-15,18-20,22H,9-10,12-13H2,1-3H3,(H,27,33)(H,28,34)(H,29,36)(H,30,35)/t18-,19-,20-,22-/m0/s1
InChIKeyGXGOVLGROSYUMC-XWUOBKMESA-N
XLogP0.67
TPSA159.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.58
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]amino]butan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]amino]butan-2-yl]-1,2-oxazole-3-carboxamide (CID 145343859) is 5-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]amino]butan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]amino]butan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]amino]butan-2-yl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O)C(C)C)no1.
What is the InChIKey of 5-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]amino]butan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is GXGOVLGROSYUMC-XWUOBKMESA-N. The full InChI is InChI=1S/C26H33N5O6/c1-15(2)22(30-25(35)21-11-16(3)37-31-21)26(36)29-20(12-17-7-5-4-6-8-17)24(34)28-19(14-32)13-18-9-10-27-23(18)33/h4-8,11,14-15,18-20,22H,9-10,12-13H2,1-3H3,(H,27,33)(H,28,34)(H,29,36)(H,30,35)/t18-,19-,20-,22-/m0/s1.
What are the key properties of 5-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]amino]butan-2-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]amino]butan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 511.58 g/mol, XLogP of 0.67, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]amino]butan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 145343859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).