(2S)-2-[[(2S)-5-methyl-2-(phenylmethyl)-3-sulfanyl-hexanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-5-methyl-2-(phenylmethyl)-3-sulfanyl-hexanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-benzyl-5-methyl-3-sulfanyl-hexanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-3-mercapto-5-methyl-1-oxo-2-(phenylmethyl)hexyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-benzyl-5-methyl-3-sulfanylhexanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-benzyl-3-mercapto-5-methyl-hexanoyl]amino]propionic acid Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3S/c1-11(2)9-15(22)14(10-13-7-5-4-6-8-13)16(19)18-12(3)17(20)21/h4-8,11-12,14-15,22H,9-10H2,1-3H3,(H,18,19)(H,20,21)/t12-,14+,15?/m0/s1