(2S)-4-methyl-N-[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(2-methylsulfanylethanoylamino)pentanamide

Systemtic Name: (2S)-4-methyl-N-[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(2-methylsulfanylethanoylamino)pentanamide Openeye Name: (2S)-N-[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]-4-methyl-2-[(2-methylsulfanylacetyl)amino]pentanamide CAS Name: (2S)-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-[[2-(methylthio)-1-oxoethyl]amino]pentanamide IUPAC Name: (2S)-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-[(2-methylsulfanylacetyl)amino]pentanamide Traditional Name: (2S)-N-[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]-4-methyl-2-[[2-(methylthio)acetyl]amino]valeramide Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S/c1-13(2)10-15(21-17(23)12-26-4)19(25)22-16(18(24)20-3)11-14-8-6-5-7-9-14/h5-9,13,15-16H,10-12H2,1-4H3,(H,20,24)(H,21,23)(H,22,25)/t15-,16-/m0/s1