(3S,6S)-1-(1-cyclohexyl-2-oxidanylidene-heptan-3-yl)-3-(phenylmethyl)-6-propan-2-yl-piperazine-2,5-dione

Systemtic Name: (3S,6S)-1-(1-cyclohexyl-2-oxidanylidene-heptan-3-yl)-3-(phenylmethyl)-6-propan-2-yl-piperazine-2,5-dione Openeye Name: (3S,6S)-3-benzyl-1-[1-(2-cyclohexylacetyl)pentyl]-6-isopropyl-piperazine-2,5-dione CAS Name: (3S,6S)-1-(1-cyclohexyl-2-oxoheptan-3-yl)-3-(phenylmethyl)-6-propan-2-ylpiperazine-2,5-dione IUPAC Name: (3S,6S)-3-benzyl-1-(1-cyclohexyl-2-oxoheptan-3-yl)-6-propan-2-ylpiperazine-2,5-dione Traditional Name: (3S,6S)-3-benzyl-1-[1-(2-cyclohexylacetyl)pentyl]-6-isopropyl-piperazine-2,5-quinone Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)CC1CCCCC1)N2C(C(=O)NC(C2=O)CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CCCCC(C(=O)CC1CCCCC1)N2[C@H](C(=O)N[C@H](C2=O)CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C27H40N2O3/c1-4-5-16-23(24(30)18-21-14-10-7-11-15-21)29-25(19(2)3)26(31)28-22(27(29)32)17-20-12-8-6-9-13-20/h6,8-9,12-13,19,21-23,25H,4-5,7,10-11,14-18H2,1-3H3,(H,28,31)/t22-,23?,25-/m0/s1