1-[5,6-bis(azanyl)-9-methyl-4-oxidanyl-7-oxidanylidene-1,6-diphenyl-decan-5-yl]piperazine-2,3-dione

Systemtic Name: 1-[5,6-bis(azanyl)-9-methyl-4-oxidanyl-7-oxidanylidene-1,6-diphenyl-decan-5-yl]piperazine-2,3-dione Openeye Name: 1-[1,2-diamino-1-(1-hydroxy-4-phenyl-butyl)-5-methyl-3-oxo-2-phenyl-hexyl]piperazine-2,3-dione CAS Name: 1-(5,6-diamino-4-hydroxy-9-methyl-7-oxo-1,6-diphenyldecan-5-yl)piperazine-2,3-dione IUPAC Name: 1-(5,6-diamino-4-hydroxy-9-methyl-7-oxo-1,6-diphenyldecan-5-yl)piperazine-2,3-dione Traditional Name: 1-[1,2-diamino-1-(1-hydroxy-4-phenyl-butyl)-3-keto-5-methyl-2-phenyl-hexyl]piperazine-2,3-quinone Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C(C1=CC=CC=C1)(C(C(CCCC2=CC=CC=C2)O)(N)N3CCNC(=O)C3=O)N

Isomeric SMILES

CC(C)CC(=O)C(C1=CC=CC=C1)(C(C(CCCC2=CC=CC=C2)O)(N)N3CCNC(=O)C3=O)N

InChI

InChI=1S/C27H36N4O4/c1-19(2)18-23(33)26(28,21-13-7-4-8-14-21)27(29,31-17-16-30-24(34)25(31)35)22(32)15-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14,19,22,32H,9,12,15-18,28-29H2,1-2H3,(H,30,34)