(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)-4-sulfanyl-butanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)-4-sulfanyl-butanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-sulfanyl-butanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-4-mercapto-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)-4-sulfanylbutanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-mercapto-butanoyl]amino]propionic acid Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CCS)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)[C@H](CCS)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H20N2O5S/c1-10(14(19)20)16-13(18)12(7-8-23)17-15(21)22-9-11-5-3-2-4-6-11/h2-6,10,12,23H,7-9H2,1H3,(H,16,18)(H,17,21)(H,19,20)/t10-,12-/m0/s1