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

Systemtic Name: methyl (2S)-6,6-dimethoxy-2-[[(2S)-2-(phenylmethoxycarbonylamino)-4-sulfanyl-butanoyl]amino]hexanoate Openeye Name: methyl (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-sulfanyl-butanoyl]amino]-6,6-dimethoxy-hexanoate CAS Name: (2S)-2-[[(2S)-4-mercapto-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-6,6-dimethoxyhexanoic acid methyl ester IUPAC Name: methyl (2S)-6,6-dimethoxy-2-[[(2S)-2-(phenylmethoxycarbonylamino)-4-sulfanylbutanoyl]amino]hexanoate Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-mercapto-butanoyl]amino]-6,6-dimethoxy-hexanoic acid methyl ester Formula: C21H32N2O7S MolecularWeight: 456.55298

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Descriptors Computed from Structure

Canonical SMILES:

COC(CCCC(C(=O)OC)NC(=O)C(CCS)NC(=O)OCC1=CC=CC=C1)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O7S/c1-27-18(28-2)11-7-10-17(20(25)29-3)22-19(24)16(12-13-31)23-21(26)30-14-15-8-5-4-6-9-15/h4-6,8-9,16-18,31H,7,10-14H2,1-3H3,(H,22,24)(H,23,26)/t16-,17-/m0/s1