5-(methoxymethyl)-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1,2-oxazole-3-carboxamide

C30H37N5O7S — CID 25126048

IUPAC5-(methoxymethyl)-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)N[C@@H](Cc2cscn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)no1
InChIInChI=1S/C30H37N5O7S/c1-18(2)10-22(26(36)30(3)16-41-30)32-27(37)23(11-19-8-6-5-7-9-19)33-28(38)24(12-20-15-43-17-31-20)34-29(39)25-13-21(14-40-4)42-35-25/h5-9,13,15,17-18,22-24H,10-12,14,16H2,1-4H3,(H,32,37)(H,33,38)(H,34,39)/t22-,23-,24-,30+/m0/s1
InChIKeyHWWFKNMFONQTKW-ZUHGBKBGSA-N
MW611.72 g/mol
LogP2.23
Rot. Bonds16

About 5-(methoxymethyl)-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1,2-oxazole-3-carboxamide

5-(methoxymethyl)-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 25126048) has the molecular formula C30H37N5O7S and a molecular weight of 611.72 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID25126048
Molecular FormulaC30H37N5O7S
Molecular Weight611.72 g/mol
Exact Mass611.24
IUPAC Name5-(methoxymethyl)-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)N[C@@H](Cc2cscn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)no1
InChIInChI=1S/C30H37N5O7S/c1-18(2)10-22(26(36)30(3)16-41-30)32-27(37)23(11-19-8-6-5-7-9-19)33-28(38)24(12-20-15-43-17-31-20)34-29(39)25-13-21(14-40-4)42-35-25/h5-9,13,15,17-18,22-24H,10-12,14,16H2,1-4H3,(H,32,37)(H,33,38)(H,34,39)/t22-,23-,24-,30+/m0/s1
InChIKeyHWWFKNMFONQTKW-ZUHGBKBGSA-N
XLogP2.23
TPSA165.05 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.72
LogP ≤ 52.23
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-(methoxymethyl)-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1,2-oxazole-3-carboxamide (CID 25126048) is 5-(methoxymethyl)-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)N[C@@H](Cc2cscn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)no1.
What is the InChIKey of 5-(methoxymethyl)-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is HWWFKNMFONQTKW-ZUHGBKBGSA-N. The full InChI is InChI=1S/C30H37N5O7S/c1-18(2)10-22(26(36)30(3)16-41-30)32-27(37)23(11-19-8-6-5-7-9-19)33-28(38)24(12-20-15-43-17-31-20)34-29(39)25-13-21(14-40-4)42-35-25/h5-9,13,15,17-18,22-24H,10-12,14,16H2,1-4H3,(H,32,37)(H,33,38)(H,34,39)/t22-,23-,24-,30+/m0/s1.
What are the key properties of 5-(methoxymethyl)-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1,2-oxazole-3-carboxamide?
5-(methoxymethyl)-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 611.72 g/mol, XLogP of 2.23, 16 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25126048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).