(2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-[[2-[(2-ethanoylsulfanyl-3-methyl-butanoyl)amino]-2-methyl-propanoyl]amino]-3-phenylmethoxy-propanoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-[[2-[(2-ethanoylsulfanyl-3-methyl-butanoyl)amino]-2-methyl-propanoyl]amino]-3-phenylmethoxy-propanoate Openeye Name: (2-morpholino-2-oxo-ethyl) 2-[[2-[(2-acetylsulfanyl-3-methyl-butanoyl)amino]-2-methyl-propanoyl]amino]-3-benzyloxy-propanoate CAS Name: 2-[[2-[[2-(acetylthio)-3-methyl-1-oxobutyl]amino]-2-methyl-1-oxopropyl]amino]-3-phenylmethoxypropanoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 2-[[2-[(2-acetylsulfanyl-3-methylbutanoyl)amino]-2-methylpropanoyl]amino]-3-phenylmethoxypropanoate Traditional Name: 2-[[2-[[2-(acetylthio)-3-methyl-butanoyl]amino]-2-methyl-propanoyl]amino]-3-benzoxy-propionic acid (2-keto-2-morpholino-ethyl) ester Formula: C27H39N3O8S MolecularWeight: 565.67886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)(C)C(=O)NC(COCC1=CC=CC=C1)C(=O)OCC(=O)N2CCOCC2)SC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NC(C)(C)C(=O)NC(COCC1=CC=CC=C1)C(=O)OCC(=O)N2CCOCC2)SC(=O)C

InChI

InChI=1S/C27H39N3O8S/c1-18(2)23(39-19(3)31)24(33)29-27(4,5)26(35)28-21(16-37-15-20-9-7-6-8-10-20)25(34)38-17-22(32)30-11-13-36-14-12-30/h6-10,18,21,23H,11-17H2,1-5H3,(H,28,35)(H,29,33)