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

Systemtic Name: (4R,5S,6S,7R)-1,3-bis(3-methylpentyl)-5,6-bis(oxidanyl)-4,7-bis(phenylmethyl)-1,3-diazepan-2-one Openeye Name: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylpentyl)-1,3-diazepan-2-one CAS Name: (4R,5S,6S,7R)-5,6-dihydroxy-1,3-bis(3-methylpentyl)-4,7-bis(phenylmethyl)-1,3-diazepan-2-one IUPAC Name: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylpentyl)-1,3-diazepan-2-one Traditional Name: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylpentyl)-1,3-diazepan-2-one Formula: C31H46N2O3 MolecularWeight: 494.70854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCN1C(C(C(C(N(C1=O)CCC(C)CC)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3

Isomeric SMILES

CCC(C)CCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CCC(C)CC)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3

InChI

InChI=1S/C31H46N2O3/c1-5-23(3)17-19-32-27(21-25-13-9-7-10-14-25)29(34)30(35)28(22-26-15-11-8-12-16-26)33(31(32)36)20-18-24(4)6-2/h7-16,23-24,27-30,34-35H,5-6,17-22H2,1-4H3/t23?,24?,27-,28-,29+,30+/m1/s1