Methyl 2-((2-((tert-butoxycarbonyl)amino)propanoyl)amino)-3-hydroxybutanoate

Substructure search Find similar structures

Basic information

CAS: 41938-15-2
Standard SMILES: COC(=O)C(NC(=O)C(C)NC(=O)OC(C)(C)C)C(C)O
InChIKey: XTHVBHJPBQMZLN-UHFFFAOYSA-N
Molecular formula: C13H24N2O6
Average molar mass: 304.34 g/mol
Monoisotopic mass: 304.16343649

Names & identifiers

Preferred name: Methyl 2-((2-((tert-butoxycarbonyl)amino)propanoyl)amino)-3-hydroxybutanoate
IUPAC: methyl 3-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]butanoate

Names & synonyms

NSC10669641938-15-2NSC 106696Methyl 2-((2-((tert-butoxycarbonyl)amino)propanoyl)amino)-3-hydroxybutanoateDTXSID10962084NSC-106696methyl 2-[2-(tert-butoxycarbonylamino)propanoylamino]-3-hydroxy-butanoate2-{[tert-Butoxy(hydroxy)methylidene]amino}-N-(3-hydroxy-1-methoxy-1-oxobutan-2-yl)propanimidic acid

Database identifiers

CAS: 41938-15-2
PubChem CID: 267447
DTXSID: DTXSID10962084

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 114 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 21
Formal charge: 0
Complexity: 391

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…