[(3S)-5-azanyl-2,5-bis(oxidanylidene)-3-(phenylmethoxycarbonylamino)pentyl] 2,5-dimethylbenzoate

Systemtic Name: [(3S)-5-azanyl-2,5-bis(oxidanylidene)-3-(phenylmethoxycarbonylamino)pentyl] 2,5-dimethylbenzoate Openeye Name: [(3S)-5-amino-3-(benzyloxycarbonylamino)-2,5-dioxo-pentyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid [(3S)-5-amino-2,5-dioxo-3-(phenylmethoxycarbonylamino)pentyl] ester IUPAC Name: [(3S)-5-amino-2,5-dioxo-3-(phenylmethoxycarbonylamino)pentyl] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [(3S)-5-amino-3-(benzyloxycarbonylamino)-2,5-diketo-pentyl] ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)C(CC(=O)N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)[C@H](CC(=O)N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H24N2O6/c1-14-8-9-15(2)17(10-14)21(27)29-13-19(25)18(11-20(23)26)24-22(28)30-12-16-6-4-3-5-7-16/h3-10,18H,11-13H2,1-2H3,(H2,23,26)(H,24,28)/t18-/m0/s1