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

Systemtic Name: (phenylmethyl) 4-[(2S)-3-oxidanyl-2-(quinoxalin-2-ylcarbonylamino)propanoyl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[(2S)-3-hydroxy-2-(quinoxaline-2-carbonylamino)propanoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(2S)-3-hydroxy-1-oxo-2-[[oxo(2-quinoxalinyl)methyl]amino]propyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2S)-3-hydroxy-2-(quinoxaline-2-carbonylamino)propanoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(2S)-3-hydroxy-2-(quinoxaline-2-carbonylamino)propanoyl]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C25H27N5O5 MolecularWeight: 477.51238

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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=NC4=CC=CC=C4N=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)[C@H](CO)NC(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C25H27N5O5/c31-16-22(28-23(32)21-15-26-19-9-4-5-10-20(19)27-21)24(33)29-11-6-12-30(14-13-29)25(34)35-17-18-7-2-1-3-8-18/h1-5,7-10,15,22,31H,6,11-14,16-17H2,(H,28,32)/t22-/m0/s1