prop-2-enyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-8-(phenylmethoxycarbonylamino)octanoate

Systemtic Name: prop-2-enyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-8-(phenylmethoxycarbonylamino)octanoate Openeye Name: allyl (4S)-8-(benzyloxycarbonylamino)-4-(tert-butoxycarbonylamino)-3-oxo-octanoate CAS Name: (4S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-8-(phenylmethoxycarbonylamino)octanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-8-(phenylmethoxycarbonylamino)octanoate Traditional Name: (4S)-8-(benzyloxycarbonylamino)-4-(tert-butoxycarbonylamino)-3-keto-caprylic acid allyl ester Formula: C24H34N2O7 MolecularWeight: 462.53596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)CC(=O)OCC=C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)CC(=O)OCC=C

InChI

InChI=1S/C24H34N2O7/c1-5-15-31-21(28)16-20(27)19(26-23(30)33-24(2,3)4)13-9-10-14-25-22(29)32-17-18-11-7-6-8-12-18/h5-8,11-12,19H,1,9-10,13-17H2,2-4H3,(H,25,29)(H,26,30)/t19-/m0/s1