tert-Butyl N-{[2-(pyridin-2-yl)ethoxy]carbonyl}leucylphenylalaninate

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Basic information

CAS: 87325-31-3
Standard SMILES: CC(C)CC(NC(=O)OCCc1ccccn1)C(=O)NC(Cc1ccccc1)C(=O)OC(C)(C)C
InChIKey: XBSKULIIKCHTKP-UHFFFAOYSA-N
Molecular formula: C27H37N3O5
Average molar mass: 483.6 g/mol
Monoisotopic mass: 483.27332129

Names & identifiers

Preferred name: tert-Butyl N-{[2-(pyridin-2-yl)ethoxy]carbonyl}leucylphenylalaninate
IUPAC: tert-butyl 2-[[4-methyl-2-(2-pyridin-2-ylethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoate

Names & synonyms

87325-31-3NSC382314DTXSID70321855tert-Butyl N-{[2-(pyridin-2-yl)ethoxy]carbonyl}leucylphenylalaninateNSC-382314DS-012464tert-butyl 2-[[4-methyl-2-(2-pyridin-2-ylethoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoate

Database identifiers

CAS: 87325-31-3
PubChem CID: 343207
DTXSID: DTXSID70321855

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 107 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 14
Heavy atoms: 35
Formal charge: 0
Complexity: 670

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