methyl (2S)-2-[[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(1S)-1-(tert-butoxycarbonylamino)cyclohex-3-ene-1-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[(1S)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cyclohex-3-enyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-ene-1-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(1S)-1-(tert-butoxycarbonylamino)cyclohex-3-ene-1-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H30N2O5 MolecularWeight: 402.484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1(CCC=CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@]1(CCC=CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C22H30N2O5/c1-21(2,3)29-20(27)24-22(13-9-6-10-14-22)19(26)23-17(18(25)28-4)15-16-11-7-5-8-12-16/h5-9,11-12,17H,10,13-15H2,1-4H3,(H,23,26)(H,24,27)/t17-,22+/m0/s1