(E)-2-[cyclohexylmethyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-4-phenyl-but-3-enoic acid

Systemtic Name: (E)-2-[cyclohexylmethyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-4-phenyl-but-3-enoic acid Openeye Name: (E)-2-[(tert-butoxycarbonylamino)-(cyclohexylmethyl)amino]-4-phenyl-but-3-enoic acid CAS Name: (E)-2-[cyclohexylmethyl-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]amino]-4-phenyl-3-butenoic acid IUPAC Name: (E)-2-[cyclohexylmethyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-4-phenylbut-3-enoic acid Traditional Name: (E)-2-[(tert-butoxycarbonylamino)-(cyclohexylmethyl)amino]-4-phenyl-but-3-enoic acid Formula: C22H32N2O4 MolecularWeight: 388.50048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(CC1CCCCC1)C(C=CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NN(CC1CCCCC1)C(/C=C/C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H32N2O4/c1-22(2,3)28-21(27)23-24(16-18-12-8-5-9-13-18)19(20(25)26)15-14-17-10-6-4-7-11-17/h4,6-7,10-11,14-15,18-19H,5,8-9,12-13,16H2,1-3H3,(H,23,27)(H,25,26)/b15-14+