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

Systemtic Name: (2S)-2-benzamido-5-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-benzamido-5-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-benzamido-5-[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-benzamido-5-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-benzamido-5-[4-(1,3-benzodioxol-5-yl)piperazino]-5-keto-valeric acid Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=C(C=C2)OCO3)C(=O)CCC(C(=O)O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC3=C(C=C2)OCO3)C(=O)CC[C@@H](C(=O)O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O6/c27-21(9-7-18(23(29)30)24-22(28)16-4-2-1-3-5-16)26-12-10-25(11-13-26)17-6-8-19-20(14-17)32-15-31-19/h1-6,8,14,18H,7,9-13,15H2,(H,24,28)(H,29,30)/t18-/m0/s1