bis(phenylmethyl) (4S)-2-(2-methylpropyl)-3-oxidanylidene-4-(phenylmethoxycarbonylamino)heptanedioate

Systemtic Name: bis(phenylmethyl) (4S)-2-(2-methylpropyl)-3-oxidanylidene-4-(phenylmethoxycarbonylamino)heptanedioate Openeye Name: dibenzyl (4S)-4-(benzyloxycarbonylamino)-2-isobutyl-3-oxo-heptanedioate CAS Name: (4S)-2-(2-methylpropyl)-3-oxo-4-(phenylmethoxycarbonylamino)heptanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl (4S)-2-(2-methylpropyl)-3-oxo-4-(phenylmethoxycarbonylamino)heptanedioate Traditional Name: (4S)-4-(benzyloxycarbonylamino)-2-isobutyl-3-keto-pimelic acid dibenzyl ester Formula: C33H37NO7 MolecularWeight: 559.64938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)[C@H](CCC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C33H37NO7/c1-24(2)20-28(32(37)40-22-26-14-8-4-9-15-26)31(36)29(34-33(38)41-23-27-16-10-5-11-17-27)18-19-30(35)39-21-25-12-6-3-7-13-25/h3-17,24,28-29H,18-23H2,1-2H3,(H,34,38)/t28?,29-/m0/s1