O7-tert-butyl O1-methyl (Z,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hept-2-enedioate

Systemtic Name: O7-tert-butyl O1-methyl (Z,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hept-2-enedioate Openeye Name: O7-tert-butyl O1-methyl (Z,4S)-2-(benzyloxycarbonylamino)-4-(tert-butoxycarbonylamino)hept-2-enedioate CAS Name: (Z,4S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)-2-heptenedioic acid O7-tert-butyl ester O1-methyl ester IUPAC Name: 7-O-tert-butyl 1-O-methyl (Z,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hept-2-enedioate Traditional Name: (Z,4S)-2-(benzyloxycarbonylamino)-4-(tert-butoxycarbonylamino)hept-2-enedioic acid O7-tert-butyl ester O1-methyl ester Formula: C25H36N2O8 MolecularWeight: 492.56194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O8/c1-24(2,3)34-20(28)14-13-18(26-23(31)35-25(4,5)6)15-19(21(29)32-7)27-22(30)33-16-17-11-9-8-10-12-17/h8-12,15,18H,13-14,16H2,1-7H3,(H,26,31)(H,27,30)/b19-15-/t18-/m0/s1