(2S)-2-[[2-(ethanoylsulfanylmethyl)-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[2-(ethanoylsulfanylmethyl)-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-(acetylsulfanylmethyl)-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-[(acetylthio)methyl]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[2-(acetylsulfanylmethyl)-4-methylpentanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-[(acetylthio)methyl]-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4S/c1-12(2)9-15(11-24-13(3)20)17(21)19-16(18(22)23)10-14-7-5-4-6-8-14/h4-8,12,15-16H,9-11H2,1-3H3,(H,19,21)(H,22,23)/t15?,16-/m0/s1