(phenylmethyl) 4-[(2S)-2-(3H-benzimidazol-5-ylcarbonylamino)-3-oxidanyl-propanoyl]-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(2S)-2-(3H-benzimidazol-5-ylcarbonylamino)-3-oxidanyl-propanoyl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[(2S)-2-(3H-benzimidazole-5-carbonylamino)-3-hydroxy-propanoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(2S)-2-[[3H-benzimidazol-5-yl(oxo)methyl]amino]-3-hydroxy-1-oxopropyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2S)-2-(3H-benzimidazole-5-carbonylamino)-3-hydroxypropanoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(2S)-2-(3H-benzimidazole-5-carbonylamino)-3-hydroxy-propanoyl]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C24H27N5O5 MolecularWeight: 465.50168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)C(CO)NC(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)[C@H](CO)NC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C24H27N5O5/c30-14-21(27-22(31)18-7-8-19-20(13-18)26-16-25-19)23(32)28-9-4-10-29(12-11-28)24(33)34-15-17-5-2-1-3-6-17/h1-3,5-8,13,16,21,30H,4,9-12,14-15H2,(H,25,26)(H,27,31)/t21-/m0/s1