(4R,5S,6S,7R)-1,3-bis[(3-aminophenyl)methyl]-4,7-bis(phenylmethyl)-1,3-diazepane-2,5,6-triol

Systemtic Name: (4R,5S,6S,7R)-1,3-bis[(3-aminophenyl)methyl]-4,7-bis(phenylmethyl)-1,3-diazepane-2,5,6-triol Openeye Name: (4R,5S,6S,7R)-1,3-bis[(3-aminophenyl)methyl]-4,7-dibenzyl-1,3-diazepane-2,5,6-triol CAS Name: (4R,5S,6S,7R)-1,3-bis[(3-aminophenyl)methyl]-4,7-bis(phenylmethyl)-1,3-diazepane-2,5,6-triol IUPAC Name: (4R,5S,6S,7R)-1,3-bis[(3-aminophenyl)methyl]-4,7-dibenzyl-1,3-diazepane-2,5,6-triol Traditional Name: (4R,5S,6S,7R)-1,3-bis(3-aminobenzyl)-4,7-dibenzyl-1,3-diazepane-2,5,6-triol Formula: C33H38N4O3 MolecularWeight: 538.67982

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H38N4O3/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26/h1-18,29-33,38-40H,19-22,34-35H2/t29-,30-,31+,32+/m1/s1