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

Systemtic Name: 2-[(2-azanyl-4-sulfanyl-butanoyl)-phenylmethoxycarbonyl-amino]-3-(2,2-dimethoxyethoxy)propanoic acid Openeye Name: 2-[(2-amino-4-sulfanyl-butanoyl)-benzyloxycarbonyl-amino]-3-(2,2-dimethoxyethoxy)propanoic acid CAS Name: 2-[(2-amino-4-mercapto-1-oxobutyl)-phenylmethoxycarbonylamino]-3-(2,2-dimethoxyethoxy)propanoic acid IUPAC Name: 2-[(2-amino-4-sulfanylbutanoyl)-phenylmethoxycarbonylamino]-3-(2,2-dimethoxyethoxy)propanoic acid Traditional Name: 2-[(2-amino-4-mercapto-butanoyl)-carbobenzoxy-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)N(C(=O)C(CCS)N)C(=O)OCC1=CC=CC=C1)OC

Isomeric SMILES

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

InChI

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