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

Systemtic Name: tert-butyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-8-(phenylmethoxycarbonylamino)octanoate Openeye Name: tert-butyl (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 tert-butyl ester IUPAC Name: tert-butyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-8-(phenylmethoxycarbonylamino)octanoate Traditional Name: (4S)-8-(benzyloxycarbonylamino)-4-(tert-butoxycarbonylamino)-3-keto-caprylic acid tert-butyl ester Formula: C25H38N2O7 MolecularWeight: 478.57842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N2O7/c1-24(2,3)33-21(29)16-20(28)19(27-23(31)34-25(4,5)6)14-10-11-15-26-22(30)32-17-18-12-8-7-9-13-18/h7-9,12-13,19H,10-11,14-17H2,1-6H3,(H,26,30)(H,27,31)/t19-/m0/s1