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

Systemtic Name: (phenylmethyl) 4-[(2S)-3-oxidanyl-2-(quinolin-4-ylcarbonylamino)propanoyl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[(2S)-3-hydroxy-2-(quinoline-4-carbonylamino)propanoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(2S)-3-hydroxy-1-oxo-2-[[oxo(4-quinolinyl)methyl]amino]propyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2S)-3-hydroxy-2-(quinoline-4-carbonylamino)propanoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(2S)-2-(cinchoninoylamino)-3-hydroxy-propanoyl]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C26H28N4O5 MolecularWeight: 476.52432

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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=CC=NC4=CC=CC=C34

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)[C@H](CO)NC(=O)C3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C26H28N4O5/c31-17-23(28-24(32)21-11-12-27-22-10-5-4-9-20(21)22)25(33)29-13-6-14-30(16-15-29)26(34)35-18-19-7-2-1-3-8-19/h1-5,7-12,23,31H,6,13-18H2,(H,28,32)/t23-/m0/s1