(3R)-3-[2-(2,4-dimethylimidazol-1-yl)ethylcarbamoyl]-4-phenylmethoxycarbonyl-piperazine-1-carboxylic acid

Systemtic Name: (3R)-3-[2-(2,4-dimethylimidazol-1-yl)ethylcarbamoyl]-4-phenylmethoxycarbonyl-piperazine-1-carboxylic acid Openeye Name: (3R)-4-benzyloxycarbonyl-3-[2-(2,4-dimethylimidazol-1-yl)ethylcarbamoyl]piperazine-1-carboxylic acid CAS Name: (3R)-3-[[2-(2,4-dimethyl-1-imidazolyl)ethylamino]-oxomethyl]-4-phenylmethoxycarbonyl-1-piperazinecarboxylic acid IUPAC Name: (3R)-3-[2-(2,4-dimethylimidazol-1-yl)ethylcarbamoyl]-4-phenylmethoxycarbonylpiperazine-1-carboxylic acid Traditional Name: (3R)-4-carbobenzoxy-3-[2-(2,4-dimethylimidazol-1-yl)ethylcarbamoyl]piperazine-1-carboxylic acid Formula: C21H27N5O5 MolecularWeight: 429.46958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=N1)C)CCNC(=O)C2CN(CCN2C(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CN(C(=N1)C)CCNC(=O)[C@H]2CN(CCN2C(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H27N5O5/c1-15-12-24(16(2)23-15)9-8-22-19(27)18-13-25(20(28)29)10-11-26(18)21(30)31-14-17-6-4-3-5-7-17/h3-7,12,18H,8-11,13-14H2,1-2H3,(H,22,27)(H,28,29)/t18-/m1/s1