Products 3058911-16-0

CAS 3058911-16-0 is the registry number for DeFer-2. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

(2S,4R)-1-[(2S)-3,3-dimethyl-2-[4-[[(Z)-octadec-9-enoyl]amino]butanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (CAS 3058911-16-0) is a chemical compound with the molecular formula C44H69N5O5S and a molecular weight of 780.1 g/mol. IUPAC name: (2S,4R)-1-[(2S)-3,3-dimethyl-2-[4-[[(Z)-octadec-9-enoyl]amino]butanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide. InChIKey: FOJJJSRIPHLZFB-HJBYGEKRSA-N.

Identity
Molecular formulaC44H69N5O5S
Molecular weight780.1 g/mol
IUPAC name(2S,4R)-1-[(2S)-3,3-dimethyl-2-[4-[[(Z)-octadec-9-enoyl]amino]butanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
InChIKeyFOJJJSRIPHLZFB-HJBYGEKRSA-N
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCCC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C

Computed by PubChem (NCBI)