2-(1H-imidazol-5-ylmethyl)-2-(methylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-5-phenyl-pentanoic acid

Systemtic Name: 2-(1H-imidazol-5-ylmethyl)-2-(methylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-5-phenyl-pentanoic acid Openeye Name: 4-(tert-butoxycarbonylamino)-2-(1H-imidazol-5-ylmethyl)-2-(methylamino)-3-oxo-5-phenyl-pentanoic acid CAS Name: 2-(1H-imidazol-5-ylmethyl)-2-(methylamino)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-5-phenylpentanoic acid IUPAC Name: 2-(1H-imidazol-5-ylmethyl)-2-(methylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-5-phenylpentanoic acid Traditional Name: 4-(tert-butoxycarbonylamino)-2-(1H-imidazol-5-ylmethyl)-3-keto-2-(methylamino)-5-phenyl-valeric acid Formula: C21H28N4O5 MolecularWeight: 416.47082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)C(CC2=CN=CN2)(C(=O)O)NC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)C(CC2=CN=CN2)(C(=O)O)NC

InChI

InChI=1S/C21H28N4O5/c1-20(2,3)30-19(29)25-16(10-14-8-6-5-7-9-14)17(26)21(22-4,18(27)28)11-15-12-23-13-24-15/h5-9,12-13,16,22H,10-11H2,1-4H3,(H,23,24)(H,25,29)(H,27,28)