methyl (E,2S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hept-4-enoate

Systemtic Name: methyl (E,2S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hept-4-enoate Openeye Name: methyl (E,2S)-2-(benzyloxycarbonylamino)-7-(tert-butoxycarbonylamino)hept-4-enoate CAS Name: (E,2S)-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)-4-heptenoic acid methyl ester IUPAC Name: methyl (E,2S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hept-4-enoate Traditional Name: (E,2S)-2-(benzyloxycarbonylamino)-7-(tert-butoxycarbonylamino)hept-4-enoic acid methyl ester Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC=CCC(C(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O6/c1-21(2,3)29-19(25)22-14-10-6-9-13-17(18(24)27-4)23-20(26)28-15-16-11-7-5-8-12-16/h5-9,11-12,17H,10,13-15H2,1-4H3,(H,22,25)(H,23,26)/b9-6+/t17-/m0/s1