(phenylmethyl) (2S)-2-[(4-carbonazidoylcyclohexyl)methylcarbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(4-carbonazidoylcyclohexyl)methylcarbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[(4-carbonazidoylcyclohexyl)methylcarbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[(4-carbonazidoylcyclohexyl)methylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(4-carbonazidoylcyclohexyl)methylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(4-carbonazidoylcyclohexyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NCC3CCC(CC3)C(=O)N=[N+]=[N-]

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NCC3CCC(CC3)C(=O)N=[N+]=[N-]

InChI

InChI=1S/C21H27N5O4/c22-25-24-19(27)17-10-8-15(9-11-17)13-23-20(28)18-7-4-12-26(18)21(29)30-14-16-5-2-1-3-6-16/h1-3,5-6,15,17-18H,4,7-14H2,(H,23,28)/t15?,17?,18-/m0/s1