ethyl 3-[3-methylbutylcarbamoyl(propanoyloxy)amino]-4-phenylsulfanyl-butanoate

Systemtic Name: ethyl 3-[3-methylbutylcarbamoyl(propanoyloxy)amino]-4-phenylsulfanyl-butanoate Openeye Name: ethyl 3-[isopentylcarbamoyl(propanoyloxy)amino]-4-phenylsulfanyl-butanoate CAS Name: 3-[[(3-methylbutylamino)-oxomethyl]-(1-oxopropoxy)amino]-4-(phenylthio)butanoic acid ethyl ester IUPAC Name: ethyl 3-[3-methylbutylcarbamoyl(propanoyloxy)amino]-4-phenylsulfanylbutanoate Traditional Name: 3-[isoamylcarbamoyl(propionyloxy)amino]-4-(phenylthio)butyric acid ethyl ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)ON(C(CC(=O)OCC)CSC1=CC=CC=C1)C(=O)NCCC(C)C

Isomeric SMILES

CCC(=O)ON(C(CC(=O)OCC)CSC1=CC=CC=C1)C(=O)NCCC(C)C

InChI

InChI=1S/C21H32N2O5S/c1-5-19(24)28-23(21(26)22-13-12-16(3)4)17(14-20(25)27-6-2)15-29-18-10-8-7-9-11-18/h7-11,16-17H,5-6,12-15H2,1-4H3,(H,22,26)