O1-methyl O6-(phenylmethyl) (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-hexanedioate

Systemtic Name: O1-methyl O6-(phenylmethyl) (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-hexanedioate Openeye Name: O6-benzyl O1-methyl (3S)-3-(tert-butoxycarbonylamino)-2-oxo-hexanedioate CAS Name: (3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxohexanedioic acid O1-methyl ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-methyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxohexanedioate Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-2-keto-adipic acid O6-benzyl ester O1-methyl ester Formula: C19H25NO7 MolecularWeight: 379.4043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)C(=O)OC

InChI

InChI=1S/C19H25NO7/c1-19(2,3)27-18(24)20-14(16(22)17(23)25-4)10-11-15(21)26-12-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,20,24)/t14-/m0/s1