2-[(4R,5S,6S,7R)-7-(cyanomethyl)-5,6-bis(oxidanyl)-2-oxidanylidene-1,3-bis(phenylmethyl)-1,3-diazepan-4-yl]ethanenitrile

Systemtic Name: 2-[(4R,5S,6S,7R)-7-(cyanomethyl)-5,6-bis(oxidanyl)-2-oxidanylidene-1,3-bis(phenylmethyl)-1,3-diazepan-4-yl]ethanenitrile Openeye Name: 2-[(4R,5S,6S,7R)-1,3-dibenzyl-7-(cyanomethyl)-5,6-dihydroxy-2-oxo-1,3-diazepan-4-yl]acetonitrile CAS Name: 2-[(4R,5S,6S,7R)-7-(cyanomethyl)-5,6-dihydroxy-2-oxo-1,3-bis(phenylmethyl)-1,3-diazepan-4-yl]acetonitrile IUPAC Name: 2-[(4R,5S,6S,7R)-1,3-dibenzyl-7-(cyanomethyl)-5,6-dihydroxy-2-oxo-1,3-diazepan-4-yl]acetonitrile Traditional Name: 2-[(4R,5S,6S,7R)-1,3-dibenzyl-7-(cyanomethyl)-5,6-dihydroxy-2-keto-1,3-diazepan-4-yl]acetonitrile Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(C(C(C(N(C2=O)CC3=CC=CC=C3)CC#N)O)O)CC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)CC3=CC=CC=C3)CC#N)O)O)CC#N

InChI

InChI=1S/C23H24N4O3/c24-13-11-19-21(28)22(29)20(12-14-25)27(16-18-9-5-2-6-10-18)23(30)26(19)15-17-7-3-1-4-8-17/h1-10,19-22,28-29H,11-12,15-16H2/t19-,20-,21+,22+/m1/s1