(phenylmethyl) 4-[4-[[(3R)-4-azido-3-oxidanyl-butyl]-phenylmethoxycarbonyl-amino]-2-fluoranyl-phenyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[4-[[(3R)-4-azido-3-oxidanyl-butyl]-phenylmethoxycarbonyl-amino]-2-fluoranyl-phenyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[4-[[(3R)-4-azido-3-hydroxy-butyl]-benzyloxycarbonyl-amino]-2-fluoro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[(3R)-4-azido-3-hydroxybutyl]-phenylmethoxycarbonylamino]-2-fluorophenyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-[[(3R)-4-azido-3-hydroxybutyl]-phenylmethoxycarbonylamino]-2-fluorophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[(3R)-4-azido-3-hydroxy-butyl]-carbobenzoxy-amino]-2-fluoro-phenyl]piperazine-1-carboxylic acid benzyl ester Formula: C30H33FN6O5 MolecularWeight: 576.618623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)N(CCC(CN=[N+]=[N-])O)C(=O)OCC3=CC=CC=C3)F)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)N(CC[C@H](CN=[N+]=[N-])O)C(=O)OCC3=CC=CC=C3)F)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H33FN6O5/c31-27-19-25(37(14-13-26(38)20-33-34-32)30(40)42-22-24-9-5-2-6-10-24)11-12-28(27)35-15-17-36(18-16-35)29(39)41-21-23-7-3-1-4-8-23/h1-12,19,26,38H,13-18,20-22H2/t26-/m1/s1