N'-[(4R,5S,6S,7R)-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-5,6-bis(oxidanyl)-4,7-bis(phenylmethyl)-1,3-diazepan-2-yl]methanimidamide

Systemtic Name: N'-[(4R,5S,6S,7R)-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-5,6-bis(oxidanyl)-4,7-bis(phenylmethyl)-1,3-diazepan-2-yl]methanimidamide Openeye Name: N'-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-1,3-diazepan-2-yl]formamidine CAS Name: N'-[(4R,5S,6S,7R)-5,6-dihydroxy-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-4,7-bis(phenylmethyl)-1,3-diazepan-2-yl]methanimidamide IUPAC Name: N'-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-1,3-diazepan-2-yl]methanimidamide Traditional Name: N'-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-methylolbenzyl)-1,3-diazepan-2-yl]formamidine Formula: C36H42N4O4 MolecularWeight: 594.74308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(C(C(N(C(N2CC3=CC=C(C=C3)CO)N=CN)CC4=CC=C(C=C4)CO)CC5=CC=CC=C5)O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(N2CC3=CC=C(C=C3)CO)N=CN)CC4=CC=C(C=C4)CO)CC5=CC=CC=C5)O)O

InChI

InChI=1S/C36H42N4O4/c37-25-38-36-39(21-28-11-15-30(23-41)16-12-28)32(19-26-7-3-1-4-8-26)34(43)35(44)33(20-27-9-5-2-6-10-27)40(36)22-29-13-17-31(24-42)18-14-29/h1-18,25,32-36,41-44H,19-24H2,(H2,37,38)/t32-,33-,34+,35+/m1/s1