(2S)-2-benzamido-5-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-benzamido-5-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-benzamido-5-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-benzamido-5-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-benzamido-5-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-benzamido-5-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazino]-5-keto-valeric acid Formula: C24H27N3O6 MolecularWeight: 453.48768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=C(C=C2)OCCO3)C(=O)CCC(C(=O)O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC3=C(C=C2)OCCO3)C(=O)CC[C@@H](C(=O)O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O6/c28-22(9-7-19(24(30)31)25-23(29)17-4-2-1-3-5-17)27-12-10-26(11-13-27)18-6-8-20-21(16-18)33-15-14-32-20/h1-6,8,16,19H,7,9-15H2,(H,25,29)(H,30,31)/t19-/m0/s1