prop-2-enyl (4S)-6-methyl-3-oxidanylidene-2-phenethyl-4-(phenylmethoxycarbonylamino)heptanoate

Systemtic Name: prop-2-enyl (4S)-6-methyl-3-oxidanylidene-2-phenethyl-4-(phenylmethoxycarbonylamino)heptanoate Openeye Name: allyl (4S)-4-(benzyloxycarbonylamino)-6-methyl-3-oxo-2-phenethyl-heptanoate CAS Name: (4S)-6-methyl-3-oxo-2-phenethyl-4-(phenylmethoxycarbonylamino)heptanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-6-methyl-3-oxo-2-phenethyl-4-(phenylmethoxycarbonylamino)heptanoate Traditional Name: (4S)-4-(benzyloxycarbonylamino)-3-keto-6-methyl-2-phenethyl-enanthic acid allyl ester Formula: C27H33NO5 MolecularWeight: 451.55462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(CCC1=CC=CC=C1)C(=O)OCC=C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)C(CCC1=CC=CC=C1)C(=O)OCC=C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H33NO5/c1-4-17-32-26(30)23(16-15-21-11-7-5-8-12-21)25(29)24(18-20(2)3)28-27(31)33-19-22-13-9-6-10-14-22/h4-14,20,23-24H,1,15-19H2,2-3H3,(H,28,31)/t23?,24-/m0/s1