3-methyldodec-1-en-3-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: 3-methyldodec-1-en-3-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate Openeye Name: (1-methyl-1-vinyl-decyl) (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid 3-methyldodec-1-en-3-yl ester IUPAC Name: 3-methyldodec-1-en-3-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid (1-methyl-1-nonyl-allyl) ester Formula: C27H43NO4 MolecularWeight: 445.63462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)(C=C)OC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCC(C)(C=C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H43NO4/c1-7-9-10-11-12-13-17-20-27(6,8-2)31-24(29)23(21-22-18-15-14-16-19-22)28-25(30)32-26(3,4)5/h8,14-16,18-19,23H,2,7,9-13,17,20-21H2,1,3-6H3,(H,28,30)/t23-,27?/m0/s1