(phenylmethyl) 3-[(3S)-4-azanyl-2,6-bis(oxidanylidene)-3-propan-2-yl-piperazin-1-yl]propanoate

Systemtic Name: (phenylmethyl) 3-[(3S)-4-azanyl-2,6-bis(oxidanylidene)-3-propan-2-yl-piperazin-1-yl]propanoate Openeye Name: benzyl 3-[(3S)-4-amino-3-isopropyl-2,6-dioxo-piperazin-1-yl]propanoate CAS Name: 3-[(3S)-4-amino-2,6-dioxo-3-propan-2-yl-1-piperazinyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(3S)-4-amino-2,6-dioxo-3-propan-2-ylpiperazin-1-yl]propanoate Traditional Name: 3-[(3S)-4-amino-3-isopropyl-2,6-diketo-piperazino]propionic acid benzyl ester Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(=O)CN1N)CCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H]1C(=O)N(C(=O)CN1N)CCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O4/c1-12(2)16-17(23)19(14(21)10-20(16)18)9-8-15(22)24-11-13-6-4-3-5-7-13/h3-7,12,16H,8-11,18H2,1-2H3/t16-/m0/s1