2-azanyl-3-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 2-azanyl-3-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 2-amino-3-[3-(4-tert-butoxycarbonylpiperazin-1-yl)phenyl]-3-oxo-propanoic acid CAS Name: 2-amino-3-[3-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]phenyl]-3-oxopropanoic acid IUPAC Name: 2-amino-3-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]-3-oxopropanoic acid Traditional Name: 2-amino-3-[3-(4-tert-butoxycarbonylpiperazino)phenyl]-3-keto-propionic acid Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(=O)C(C(=O)O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(=O)C(C(=O)O)N

InChI

InChI=1S/C18H25N3O5/c1-18(2,3)26-17(25)21-9-7-20(8-10-21)13-6-4-5-12(11-13)15(22)14(19)16(23)24/h4-6,11,14H,7-10,19H2,1-3H3,(H,23,24)