6-[[2-[2-(cyclohexylmethyl)-3,6-bis(oxidanylidene)-5-(phenylmethyl)piperazin-1-yl]-2-(4-phenoxyphenyl)ethanoyl]amino]hexanoic acid

Systemtic Name: 6-[[2-[2-(cyclohexylmethyl)-3,6-bis(oxidanylidene)-5-(phenylmethyl)piperazin-1-yl]-2-(4-phenoxyphenyl)ethanoyl]amino]hexanoic acid Openeye Name: 6-[[2-[5-benzyl-2-(cyclohexylmethyl)-3,6-dioxo-piperazin-1-yl]-2-(4-phenoxyphenyl)acetyl]amino]hexanoic acid CAS Name: 6-[[2-[2-(cyclohexylmethyl)-3,6-dioxo-5-(phenylmethyl)-1-piperazinyl]-1-oxo-2-(4-phenoxyphenyl)ethyl]amino]hexanoic acid IUPAC Name: 6-[[2-[5-benzyl-2-(cyclohexylmethyl)-3,6-dioxopiperazin-1-yl]-2-(4-phenoxyphenyl)acetyl]amino]hexanoic acid Traditional Name: 6-[[2-[5-benzyl-2-(cyclohexylmethyl)-3,6-diketo-piperazino]-2-(4-phenoxyphenyl)acetyl]amino]hexanoic acid Formula: C38H45N3O6 MolecularWeight: 639.7804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2C(=O)NC(C(=O)N2C(C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)NCCCCCC(=O)O)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)CC2C(=O)NC(C(=O)N2C(C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)NCCCCCC(=O)O)CC5=CC=CC=C5

InChI

InChI=1S/C38H45N3O6/c42-34(43)19-11-4-12-24-39-37(45)35(29-20-22-31(23-21-29)47-30-17-9-3-10-18-30)41-33(26-28-15-7-2-8-16-28)36(44)40-32(38(41)46)25-27-13-5-1-6-14-27/h1,3,5-6,9-10,13-14,17-18,20-23,28,32-33,35H,2,4,7-8,11-12,15-16,19,24-26H2,(H,39,45)(H,40,44)(H,42,43)