O4-tert-butyl O1-(phenylmethyl) (2S)-2-[2-methylidenebutyl(phenylmethoxycarbonyl)amino]butanedioate

Systemtic Name: O4-tert-butyl O1-(phenylmethyl) (2S)-2-[2-methylidenebutyl(phenylmethoxycarbonyl)amino]butanedioate Openeye Name: O1-benzyl O4-tert-butyl (2S)-2-[benzyloxycarbonyl(2-methylenebutyl)amino]butanedioate CAS Name: (2S)-2-[2-methylenebutyl(phenylmethoxycarbonyl)amino]butanedioic acid O4-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-tert-butyl (2S)-2-[2-methylidenebutyl(phenylmethoxycarbonyl)amino]butanedioate Traditional Name: (2S)-2-[carbobenzoxy(2-ethylallyl)amino]succinic acid O1-benzyl ester O4-tert-butyl ester Formula: C28H35NO6 MolecularWeight: 481.5806

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)CN(C(CC(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(=C)CN([C@@H](CC(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C28H35NO6/c1-6-21(2)18-29(27(32)34-20-23-15-11-8-12-16-23)24(17-25(30)35-28(3,4)5)26(31)33-19-22-13-9-7-10-14-22/h7-16,24H,2,6,17-20H2,1,3-5H3/t24-/m0/s1