2-[5-chloranyl-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[5-chloranyl-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[3-[4-(tert-butoxycarbonylamino)butylamino]-5-chloro-2-oxo-6-phenyl-pyrazin-1-yl]acetic acid CAS Name: 2-[5-chloro-3-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butylamino]-2-oxo-6-phenyl-1-pyrazinyl]acetic acid IUPAC Name: 2-[5-chloro-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-2-oxo-6-phenylpyrazin-1-yl]acetic acid Traditional Name: 2-[3-[4-(tert-butoxycarbonylamino)butylamino]-5-chloro-2-keto-6-phenyl-pyrazin-1-yl]acetic acid Formula: C21H27ClN4O5 MolecularWeight: 450.91588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCNC1=NC(=C(N(C1=O)CC(=O)O)C2=CC=CC=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCNC1=NC(=C(N(C1=O)CC(=O)O)C2=CC=CC=C2)Cl

InChI

InChI=1S/C21H27ClN4O5/c1-21(2,3)31-20(30)24-12-8-7-11-23-18-19(29)26(13-15(27)28)16(17(22)25-18)14-9-5-4-6-10-14/h4-6,9-10H,7-8,11-13H2,1-3H3,(H,23,25)(H,24,30)(H,27,28)