(2S)-3-[(Z,5R)-1-ethoxy-5-oxidanyl-1-oxidanylidene-hex-2-en-2-yl]sulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-[(Z,5R)-1-ethoxy-5-oxidanyl-1-oxidanylidene-hex-2-en-2-yl]sulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-[(Z,4R)-1-ethoxycarbonyl-4-hydroxy-pent-1-enyl]sulfanyl-propanoic acid CAS Name: (2S)-3-[[(Z,5R)-1-ethoxy-5-hydroxy-1-oxohex-2-en-2-yl]thio]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-[(Z,5R)-1-ethoxy-5-hydroxy-1-oxohex-2-en-2-yl]sulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[[(Z,4R)-1-carbethoxy-4-hydroxy-pent-1-enyl]thio]propionic acid Formula: C19H25NO7S MolecularWeight: 411.4693

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CCC(C)O)SCC(C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)/C(=C/C[C@@H](C)O)/SC[C@H](C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H25NO7S/c1-3-26-18(24)16(10-9-13(2)21)28-12-15(17(22)23)20-19(25)27-11-14-7-5-4-6-8-14/h4-8,10,13,15,21H,3,9,11-12H2,1-2H3,(H,20,25)(H,22,23)/b16-10-/t13-,15-/m1/s1