dimethyl (2S)-2-[(3S)-3-(1H-imidazol-5-ylmethyl)-2-oxidanylidene-piperazin-1-yl]butanedioate

Systemtic Name: dimethyl (2S)-2-[(3S)-3-(1H-imidazol-5-ylmethyl)-2-oxidanylidene-piperazin-1-yl]butanedioate Openeye Name: dimethyl (2S)-2-[(3S)-3-(1H-imidazol-5-ylmethyl)-2-oxo-piperazin-1-yl]butanedioate CAS Name: (2S)-2-[(3S)-3-(1H-imidazol-5-ylmethyl)-2-oxo-1-piperazinyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[(3S)-3-(1H-imidazol-5-ylmethyl)-2-oxopiperazin-1-yl]butanedioate Traditional Name: (2S)-2-[(3S)-3-(1H-imidazol-5-ylmethyl)-2-keto-piperazino]succinic acid dimethyl ester Formula: C14H20N4O5 MolecularWeight: 324.3324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC)N1CCNC(C1=O)CC2=CN=CN2

Isomeric SMILES

COC(=O)C[C@@H](C(=O)OC)N1CCN[C@H](C1=O)CC2=CN=CN2

InChI

InChI=1S/C14H20N4O5/c1-22-12(19)6-11(14(21)23-2)18-4-3-16-10(13(18)20)5-9-7-15-8-17-9/h7-8,10-11,16H,3-6H2,1-2H3,(H,15,17)/t10-,11-/m0/s1