butyl (5S)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-5-(phenylmethoxycarbonylamino)octanoate

Systemtic Name: butyl (5S)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-5-(phenylmethoxycarbonylamino)octanoate Openeye Name: butyl (5S)-5-(benzyloxycarbonylamino)-8-(tert-butoxycarbonylamino)-4-oxo-octanoate CAS Name: (5S)-8-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-5-(phenylmethoxycarbonylamino)octanoic acid butyl ester IUPAC Name: butyl (5S)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-5-(phenylmethoxycarbonylamino)octanoate Traditional Name: (5S)-5-(benzyloxycarbonylamino)-8-(tert-butoxycarbonylamino)-4-keto-caprylic acid butyl ester Formula: C25H38N2O7 MolecularWeight: 478.57842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCC(=O)C(CCCNC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCOC(=O)CCC(=O)[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C25H38N2O7/c1-5-6-17-32-22(29)15-14-21(28)20(13-10-16-26-23(30)34-25(2,3)4)27-24(31)33-18-19-11-8-7-9-12-19/h7-9,11-12,20H,5-6,10,13-18H2,1-4H3,(H,26,30)(H,27,31)/t20-/m0/s1