methyl (2S)-6-oxidanyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)-4-sulfanyl-butanoyl]amino]hexanoate

Systemtic Name: methyl (2S)-6-oxidanyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)-4-sulfanyl-butanoyl]amino]hexanoate Openeye Name: methyl (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-sulfanyl-butanoyl]amino]-6-hydroxy-hexanoate CAS Name: (2S)-6-hydroxy-2-[[(2S)-4-mercapto-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-hydroxy-2-[[(2S)-2-(phenylmethoxycarbonylamino)-4-sulfanylbutanoyl]amino]hexanoate Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-mercapto-butanoyl]amino]-6-hydroxy-hexanoic acid methyl ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O6S/c1-26-18(24)16(9-5-6-11-22)20-17(23)15(10-12-28)21-19(25)27-13-14-7-3-2-4-8-14/h2-4,7-8,15-16,22,28H,5-6,9-13H2,1H3,(H,20,23)(H,21,25)/t15-,16-/m0/s1