ethyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: ethyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: ethyl (4S)-6-(benzyloxycarbonylamino)-4-(tert-butoxycarbonylamino)-3-oxo-hexanoate CAS Name: (4S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-6-(phenylmethoxycarbonylamino)hexanoic acid ethyl ester IUPAC Name: ethyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (4S)-6-(benzyloxycarbonylamino)-4-(tert-butoxycarbonylamino)-3-keto-hexanoic acid ethyl ester Formula: C21H30N2O7 MolecularWeight: 422.4721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O7/c1-5-28-18(25)13-17(24)16(23-20(27)30-21(2,3)4)11-12-22-19(26)29-14-15-9-7-6-8-10-15/h6-10,16H,5,11-14H2,1-4H3,(H,22,26)(H,23,27)/t16-/m0/s1