ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-7-(phenylmethoxycarbonylamino)heptanoate

Systemtic Name: ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-7-(phenylmethoxycarbonylamino)heptanoate Openeye Name: ethyl 7-(benzyloxycarbonylamino)-4-(tert-butoxycarbonylamino)-3-oxo-heptanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-7-(phenylmethoxycarbonylamino)heptanoic acid ethyl ester IUPAC Name: ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-7-(phenylmethoxycarbonylamino)heptanoate Traditional Name: 7-(benzyloxycarbonylamino)-4-(tert-butoxycarbonylamino)-3-keto-enanthic acid ethyl ester Formula: C22H32N2O7 MolecularWeight: 436.49868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O7/c1-5-29-19(26)14-18(25)17(24-21(28)31-22(2,3)4)12-9-13-23-20(27)30-15-16-10-7-6-8-11-16/h6-8,10-11,17H,5,9,12-15H2,1-4H3,(H,23,27)(H,24,28)