2-[1-(2-azanylethanoyl)-3-oxidanylidene-4-(2-oxidanylidene-2-phenylmethoxy-ethyl)piperazin-2-yl]propanoic acid

Systemtic Name: 2-[1-(2-azanylethanoyl)-3-oxidanylidene-4-(2-oxidanylidene-2-phenylmethoxy-ethyl)piperazin-2-yl]propanoic acid Openeye Name: 2-[1-(2-aminoacetyl)-4-(2-benzyloxy-2-oxo-ethyl)-3-oxo-piperazin-2-yl]propanoic acid CAS Name: 2-[1-(2-amino-1-oxoethyl)-3-oxo-4-(2-oxo-2-phenylmethoxyethyl)-2-piperazinyl]propanoic acid IUPAC Name: 2-[1-(2-aminoacetyl)-3-oxo-4-(2-oxo-2-phenylmethoxyethyl)piperazin-2-yl]propanoic acid Traditional Name: 2-[4-(2-benzoxy-2-keto-ethyl)-1-glycyl-3-keto-piperazin-2-yl]propionic acid Formula: C18H23N3O6 MolecularWeight: 377.39172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(=O)N(CCN1C(=O)CN)CC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C1C(=O)N(CCN1C(=O)CN)CC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H23N3O6/c1-12(18(25)26)16-17(24)20(7-8-21(16)14(22)9-19)10-15(23)27-11-13-5-3-2-4-6-13/h2-6,12,16H,7-11,19H2,1H3,(H,25,26)