(2S)-2-[[(2R,3S)-3-azanyl-2-oxidanyl-4-phenyl-butanethioyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2R,3S)-3-azanyl-2-oxidanyl-4-phenyl-butanethioyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenyl-butanethioyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenyl-1-sulfanylidenebutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutanethioyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenyl-butanethioyl]amino]-4-methyl-valeric acid Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=S)C(C(CC1=CC=CC=C1)N)O

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3S/c1-10(2)8-13(16(20)21)18-15(22)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,22)(H,20,21)/t12-,13-,14+/m0/s1