methyl 2-[[2-[(2-methanoyloxy-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[2-[(2-methanoyloxy-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-[(2-formyloxy-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[[2-formyloxy-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-formyloxy-4-methylsulfanylbutanoyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[[2-formyloxy-4-(methylthio)butanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)C(CCSC)OC=O

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)C(CCSC)OC=O

InChI

InChI=1S/C22H32N2O6S/c1-15(2)12-17(23-21(27)19(30-14-25)10-11-31-4)20(26)24-18(22(28)29-3)13-16-8-6-5-7-9-16/h5-9,14-15,17-19H,10-13H2,1-4H3,(H,23,27)(H,24,26)