(2S)-2-[(2-aminophenyl)carbamothioylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[(2-aminophenyl)carbamothioylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[(2-aminophenyl)carbamothioylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2-aminoanilino)-sulfanylidenemethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[(2-aminophenyl)carbamothioylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(2-aminophenyl)thiocarbamoylamino]-4-methyl-valeric acid Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=S)NC1=CC=CC=C1N

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=S)NC1=CC=CC=C1N

InChI

InChI=1S/C13H19N3O2S/c1-8(2)7-11(12(17)18)16-13(19)15-10-6-4-3-5-9(10)14/h3-6,8,11H,7,14H2,1-2H3,(H,17,18)(H2,15,16,19)/t11-/m0/s1