3-ethanoylsulfanyl-6-methyl-4-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]heptanoic acid

Systemtic Name: 3-ethanoylsulfanyl-6-methyl-4-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]heptanoic acid Openeye Name: 3-acetylsulfanyl-4-[[1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]-6-methyl-heptanoic acid CAS Name: 3-(acetylthio)-6-methyl-4-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]heptanoic acid IUPAC Name: 3-acetylsulfanyl-6-methyl-4-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]heptanoic acid Traditional Name: 3-(acetylthio)-4-[[1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]-6-methyl-enanthic acid Formula: C21H30N2O5S MolecularWeight: 422.5383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)O)SC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC

Isomeric SMILES

CC(C)CC(C(CC(=O)O)SC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC

InChI

InChI=1S/C21H30N2O5S/c1-13(2)10-16(18(12-19(25)26)29-14(3)24)20(27)23-17(21(28)22-4)11-15-8-6-5-7-9-15/h5-9,13,16-18H,10-12H2,1-4H3,(H,22,28)(H,23,27)(H,25,26)