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

Systemtic Name: methyl 3-ethanoylsulfanyl-6-methyl-4-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]heptanoate Openeye Name: methyl 3-acetylsulfanyl-4-[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]-6-methyl-heptanoate CAS Name: 3-(acetylthio)-6-methyl-4-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]heptanoic acid methyl ester IUPAC Name: methyl 3-acetylsulfanyl-6-methyl-4-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]heptanoate Traditional Name: 3-(acetylthio)-4-[[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]-6-methyl-enanthic acid methyl ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CC(C(CC(=O)OC)SC(=O)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC

InChI

InChI=1S/C22H32N2O5S/c1-14(2)11-17(19(30-15(3)25)13-20(26)29-5)21(27)24-18(22(28)23-4)12-16-9-7-6-8-10-16/h6-10,14,17-19H,11-13H2,1-5H3,(H,23,28)(H,24,27)/t17?,18-,19?/m0/s1