(phenylmethyl) (3S)-3-(1H-benzimidazol-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (phenylmethyl) (3S)-3-(1H-benzimidazol-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: benzyl (3S)-3-(1H-benzimidazol-2-yl)-3-(tert-butoxycarbonylamino)propanoate CAS Name: (3S)-3-(1H-benzimidazol-2-yl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-(1H-benzimidazol-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (3S)-3-(1H-benzimidazol-2-yl)-3-(tert-butoxycarbonylamino)propionic acid benzyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=CC=C1)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C22H25N3O4/c1-22(2,3)29-21(27)25-18(20-23-16-11-7-8-12-17(16)24-20)13-19(26)28-14-15-9-5-4-6-10-15/h4-12,18H,13-14H2,1-3H3,(H,23,24)(H,25,27)/t18-/m0/s1