(2S)-4-methyl-2-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]pentanoic acid CAS Name: (2S)-2-[[2-(mercaptomethyl)-4-methyl-1-oxopentyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-4-methyl-2-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]pentanoic acid Traditional Name: (2S)-2-[[2-(mercaptomethyl)-4-methyl-pentanoyl]amino]-4-methyl-valeric acid Formula: C13H25NO3S MolecularWeight: 275.4075

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CS)C(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C(CC(C)C)CS

InChI

InChI=1S/C13H25NO3S/c1-8(2)5-10(7-18)12(15)14-11(13(16)17)6-9(3)4/h8-11,18H,5-7H2,1-4H3,(H,14,15)(H,16,17)/t10?,11-/m0/s1