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

Systemtic Name: 3-(2,2-dimethoxyethoxy)-2-[[2-(phenylmethoxycarbonylamino)-4-sulfanyl-butanoyl]amino]propanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-4-sulfanyl-butanoyl]amino]-3-(2,2-dimethoxyethoxy)propanoic acid CAS Name: 3-(2,2-dimethoxyethoxy)-2-[[4-mercapto-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]propanoic acid IUPAC Name: 3-(2,2-dimethoxyethoxy)-2-[[2-(phenylmethoxycarbonylamino)-4-sulfanylbutanoyl]amino]propanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-4-mercapto-butanoyl]amino]-3-(2,2-dimethoxyethoxy)propionic acid Formula: C19H28N2O8S MolecularWeight: 444.49922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O8S/c1-26-16(27-2)12-28-11-15(18(23)24)20-17(22)14(8-9-30)21-19(25)29-10-13-6-4-3-5-7-13/h3-7,14-16,30H,8-12H2,1-2H3,(H,20,22)(H,21,25)(H,23,24)