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

Systemtic Name: 2-[(2-azanyl-4-oxidanyl-butanoyl)-phenylmethoxycarbonyl-amino]-3-(2,2-dimethoxyethoxy)propanoic acid Openeye Name: 2-[(2-amino-4-hydroxy-butanoyl)-benzyloxycarbonyl-amino]-3-(2,2-dimethoxyethoxy)propanoic acid CAS Name: 2-[(2-amino-4-hydroxy-1-oxobutyl)-phenylmethoxycarbonylamino]-3-(2,2-dimethoxyethoxy)propanoic acid IUPAC Name: 2-[(2-amino-4-hydroxybutanoyl)-phenylmethoxycarbonylamino]-3-(2,2-dimethoxyethoxy)propanoic acid Traditional Name: 2-[(2-amino-4-hydroxy-butanoyl)-carbobenzoxy-amino]-3-(2,2-dimethoxyethoxy)propionic acid Formula: C19H28N2O9 MolecularWeight: 428.43362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O9/c1-27-16(28-2)12-29-11-15(18(24)25)21(17(23)14(20)8-9-22)19(26)30-10-13-6-4-3-5-7-13/h3-7,14-16,22H,8-12,20H2,1-2H3,(H,24,25)