(2S)-2-[(3-ethoxycarbonylpyridin-2-yl)carbamothioylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[(3-ethoxycarbonylpyridin-2-yl)carbamothioylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[(3-ethoxycarbonyl-2-pyridyl)carbamothioylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[(3-ethoxycarbonyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[(3-ethoxycarbonylpyridin-2-yl)carbamothioylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(3-carbethoxy-2-pyridyl)thiocarbamoylamino]-4-methyl-valeric acid Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)NC(=S)NC(CC(C)C)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)NC(=S)N[C@@H](CC(C)C)C(=O)O

InChI

InChI=1S/C15H21N3O4S/c1-4-22-14(21)10-6-5-7-16-12(10)18-15(23)17-11(13(19)20)8-9(2)3/h5-7,9,11H,4,8H2,1-3H3,(H,19,20)(H2,16,17,18,23)/t11-/m0/s1