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

Systemtic Name: 2-methyl-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)-2-methyl-hexanoic acid CAS Name: 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-2-methyl-2-phenylmethoxycarbonylhexanoic acid IUPAC Name: 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-2-methyl-2-phenylmethoxycarbonylhexanoic acid Traditional Name: 2-carbobenzoxy-6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-2-methyl-hexanoic acid Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C=NC2=C1NC=NCC2O)(C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(CCCCN1C=NC2=C1NC=NCC2O)(C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O5/c1-21(19(27)28,20(29)30-12-15-7-3-2-4-8-15)9-5-6-10-25-14-24-17-16(26)11-22-13-23-18(17)25/h2-4,7-8,13-14,16,26H,5-6,9-12H2,1H3,(H,22,23)(H,27,28)