(4R,5S,6S,7R)-1,3-bis(5-imidazol-1-ylpentyl)-5,6-bis(oxidanyl)-4,7-bis(phenylmethyl)-1,3-diazepan-2-one dihydrochloride

Systemtic Name: (4R,5S,6S,7R)-1,3-bis(5-imidazol-1-ylpentyl)-5,6-bis(oxidanyl)-4,7-bis(phenylmethyl)-1,3-diazepan-2-one dihydrochloride Openeye Name: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-imidazol-1-ylpentyl)-1,3-diazepan-2-one dihydrochloride CAS Name: (4R,5S,6S,7R)-5,6-dihydroxy-1,3-bis[5-(1-imidazolyl)pentyl]-4,7-bis(phenylmethyl)-1,3-diazepan-2-one dihydrochloride IUPAC Name: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-imidazol-1-ylpentyl)-1,3-diazepan-2-one dihydrochloride Traditional Name: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-imidazol-1-ylpentyl)-1,3-diazepan-2-one dihydrochloride Formula: C35H48Cl2N6O3 MolecularWeight: 671.70002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(C(C(N(C(=O)N2CCCCCN3C=CN=C3)CCCCCN4C=CN=C4)CC5=CC=CC=C5)O)O.Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CCCCCN3C=CN=C3)CCCCCN4C=CN=C4)CC5=CC=CC=C5)O)O.Cl.Cl

InChI

InChI=1S/C35H46N6O3.2ClH/c42-33-31(25-29-13-5-1-6-14-29)40(21-11-3-9-19-38-23-17-36-27-38)35(44)41(22-12-4-10-20-39-24-18-37-28-39)32(34(33)43)26-30-15-7-2-8-16-30;;/h1-2,5-8,13-18,23-24,27-28,31-34,42-43H,3-4,9-12,19-22,25-26H2;2*1H/t31-,32-,33+,34+;;/m1../s1