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

Systemtic Name: (phenylmethyl) 4-[(2S)-3-oxidanyl-2-(2-pyridin-4-ylethanoylamino)propanoyl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[(2S)-3-hydroxy-2-[[2-(4-pyridyl)acetyl]amino]propanoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(2S)-3-hydroxy-1-oxo-2-[(1-oxo-2-pyridin-4-ylethyl)amino]propyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2S)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(2S)-3-hydroxy-2-[[2-(4-pyridyl)acetyl]amino]propanoyl]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C23H28N4O5 MolecularWeight: 440.49222

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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)CC3=CC=NC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)[C@H](CO)NC(=O)CC3=CC=NC=C3

InChI

InChI=1S/C23H28N4O5/c28-16-20(25-21(29)15-18-7-9-24-10-8-18)22(30)26-11-4-12-27(14-13-26)23(31)32-17-19-5-2-1-3-6-19/h1-3,5-10,20,28H,4,11-17H2,(H,25,29)/t20-/m0/s1