2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(tert-butoxycarbonylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[3-(tert-butoxycarbonylamino)-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C22H23N3O5 MolecularWeight: 409.43512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C22H23N3O5/c1-22(2,3)30-21(29)24-19-20(28)25(13-17(26)27)16-12-8-7-11-15(16)18(23-19)14-9-5-4-6-10-14/h4-12,19H,13H2,1-3H3,(H,24,29)(H,26,27)