3-(2,2-dimethoxyethoxy)-2-[[4-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid

Systemtic Name: 3-(2,2-dimethoxyethoxy)-2-[[4-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-4-methylsulfonyloxy-butanoyl]amino]-3-(2,2-dimethoxyethoxy)propanoic acid CAS Name: 3-(2,2-dimethoxyethoxy)-2-[[4-methylsulfonyloxy-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]propanoic acid IUPAC Name: 3-(2,2-dimethoxyethoxy)-2-[[4-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-4-methylsulfonyloxy-butanoyl]amino]-3-(2,2-dimethoxyethoxy)propionic acid Formula: C20H30N2O11S MolecularWeight: 506.524

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Descriptors Computed from Structure

Canonical SMILES:

COC(COCC(C(=O)O)NC(=O)C(CCOS(=O)(=O)C)NC(=O)OCC1=CC=CC=C1)OC

Isomeric SMILES

COC(COCC(C(=O)O)NC(=O)C(CCOS(=O)(=O)C)NC(=O)OCC1=CC=CC=C1)OC

InChI

InChI=1S/C20H30N2O11S/c1-29-17(30-2)13-31-12-16(19(24)25)21-18(23)15(9-10-33-34(3,27)28)22-20(26)32-11-14-7-5-4-6-8-14/h4-8,15-17H,9-13H2,1-3H3,(H,21,23)(H,22,26)(H,24,25)