2-azanyl-3-[2-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid Openeye Name: 2-amino-3-(1-tert-butoxycarbonyl-2-cyano-indol-3-yl)propanoic acid CAS Name: 2-amino-3-[2-cyano-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[2-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid Traditional Name: 2-amino-3-(1-tert-butoxycarbonyl-2-cyano-indol-3-yl)propionic acid Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1C#N)CC(C(=O)O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1C#N)CC(C(=O)O)N

InChI

InChI=1S/C17H19N3O4/c1-17(2,3)24-16(23)20-13-7-5-4-6-10(13)11(14(20)9-18)8-12(19)15(21)22/h4-7,12H,8,19H2,1-3H3,(H,21,22)