(3S,6S)-6-(4-azanylbutyl)-1-[(4-phenoxyphenyl)methyl]-3-[[4-(phenylcarbonyl)phenyl]methyl]piperazine-2,5-dione

Systemtic Name: (3S,6S)-6-(4-azanylbutyl)-1-[(4-phenoxyphenyl)methyl]-3-[[4-(phenylcarbonyl)phenyl]methyl]piperazine-2,5-dione Openeye Name: (3S,6S)-6-(4-aminobutyl)-3-[(4-benzoylphenyl)methyl]-1-[(4-phenoxyphenyl)methyl]piperazine-2,5-dione CAS Name: (3S,6S)-6-(4-aminobutyl)-3-[(4-benzoylphenyl)methyl]-1-[(4-phenoxyphenyl)methyl]piperazine-2,5-dione IUPAC Name: (3S,6S)-6-(4-aminobutyl)-3-[(4-benzoylphenyl)methyl]-1-[(4-phenoxyphenyl)methyl]piperazine-2,5-dione Traditional Name: (3S,6S)-6-(4-aminobutyl)-3-(4-benzoylbenzyl)-1-(4-phenoxybenzyl)piperazine-2,5-quinone Formula: C35H35N3O4 MolecularWeight: 561.6701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CC3C(=O)N(C(C(=O)N3)CCCCN)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C[C@H]3C(=O)N([C@H](C(=O)N3)CCCCN)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C35H35N3O4/c36-22-8-7-13-32-34(40)37-31(23-25-14-18-28(19-15-25)33(39)27-9-3-1-4-10-27)35(41)38(32)24-26-16-20-30(21-17-26)42-29-11-5-2-6-12-29/h1-6,9-12,14-21,31-32H,7-8,13,22-24,36H2,(H,37,40)/t31-,32-/m0/s1