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

Systemtic Name: ethyl (4S)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-4-(phenylmethoxycarbonylamino)octanoate Openeye Name: ethyl (4S)-4-(benzyloxycarbonylamino)-8-(tert-butoxycarbonylamino)-3-oxo-octanoate CAS Name: (4S)-8-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-4-(phenylmethoxycarbonylamino)octanoic acid ethyl ester IUPAC Name: ethyl (4S)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-4-(phenylmethoxycarbonylamino)octanoate Traditional Name: (4S)-4-(benzyloxycarbonylamino)-8-(tert-butoxycarbonylamino)-3-keto-caprylic acid ethyl ester Formula: C23H34N2O7 MolecularWeight: 450.52526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O7/c1-5-30-20(27)15-19(26)18(13-9-10-14-24-21(28)32-23(2,3)4)25-22(29)31-16-17-11-7-6-8-12-17/h6-8,11-12,18H,5,9-10,13-16H2,1-4H3,(H,24,28)(H,25,29)/t18-/m0/s1