ethyl 2-[[2-[(2-ethanoylsulfanyl-3-methyl-butanoyl)amino]-2-ethyl-butanoyl]amino]-3-phenylmethoxy-propanoate

Systemtic Name: ethyl 2-[[2-[(2-ethanoylsulfanyl-3-methyl-butanoyl)amino]-2-ethyl-butanoyl]amino]-3-phenylmethoxy-propanoate Openeye Name: ethyl 2-[[2-[(2-acetylsulfanyl-3-methyl-butanoyl)amino]-2-ethyl-butanoyl]amino]-3-benzyloxy-propanoate CAS Name: 2-[[2-[[2-(acetylthio)-3-methyl-1-oxobutyl]amino]-2-ethyl-1-oxobutyl]amino]-3-phenylmethoxypropanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2-acetylsulfanyl-3-methylbutanoyl)amino]-2-ethylbutanoyl]amino]-3-phenylmethoxypropanoate Traditional Name: 2-[[2-[[2-(acetylthio)-3-methyl-butanoyl]amino]-2-ethyl-butanoyl]amino]-3-benzoxy-propionic acid ethyl ester Formula: C25H38N2O6S MolecularWeight: 494.64402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)NC(COCC1=CC=CC=C1)C(=O)OCC)NC(=O)C(C(C)C)SC(=O)C

Isomeric SMILES

CCC(CC)(C(=O)NC(COCC1=CC=CC=C1)C(=O)OCC)NC(=O)C(C(C)C)SC(=O)C

InChI

InChI=1S/C25H38N2O6S/c1-7-25(8-2,27-22(29)21(17(4)5)34-18(6)28)24(31)26-20(23(30)33-9-3)16-32-15-19-13-11-10-12-14-19/h10-14,17,20-21H,7-9,15-16H2,1-6H3,(H,26,31)(H,27,29)