6-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-2-phenylmethoxycarbonyl-hexanoic acid

Systemtic Name: 6-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-2-phenylmethoxycarbonyl-hexanoic acid Openeye Name: 2-benzyloxycarbonyl-6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)hexanoic acid CAS Name: 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-2-phenylmethoxycarbonylhexanoic acid IUPAC Name: 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-2-phenylmethoxycarbonylhexanoic acid Traditional Name: 2-carbobenzoxy-6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)hexanoic acid Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(NC=N1)N(C=N2)CCCCC(C(=O)O)C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

C1C(C2=C(NC=N1)N(C=N2)CCCCC(C(=O)O)C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C20H24N4O5/c25-16-10-21-12-22-18-17(16)23-13-24(18)9-5-4-8-15(19(26)27)20(28)29-11-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-16,25H,4-5,8-11H2,(H,21,22)(H,26,27)