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

Systemtic Name: (phenylmethyl) 4-[(2S)-3-oxidanyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[(2S)-3-hydroxy-2-(pyrazine-2-carbonylamino)propanoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(2S)-3-hydroxy-1-oxo-2-[[oxo(2-pyrazinyl)methyl]amino]propyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2S)-3-hydroxy-2-(pyrazine-2-carbonylamino)propanoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(2S)-3-hydroxy-2-(pyrazinoylamino)propanoyl]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C21H25N5O5 MolecularWeight: 427.4537

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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=NC=CN=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O5/c27-14-18(24-19(28)17-13-22-7-8-23-17)20(29)25-9-4-10-26(12-11-25)21(30)31-15-16-5-2-1-3-6-16/h1-3,5-8,13,18,27H,4,9-12,14-15H2,(H,24,28)/t18-/m0/s1