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

Systemtic Name: (2S)-2-benzamido-5-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-benzamido-5-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-benzamido-5-[4-(1,3-benzodioxol-5-ylsulfonyl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-benzamido-5-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-benzamido-5-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazino]-5-keto-valeric acid Formula: C23H25N3O8S MolecularWeight: 503.5249

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(C(=O)O)NC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C(=O)CC[C@@H](C(=O)O)NC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H25N3O8S/c27-21(9-7-18(23(29)30)24-22(28)16-4-2-1-3-5-16)25-10-12-26(13-11-25)35(31,32)17-6-8-19-20(14-17)34-15-33-19/h1-6,8,14,18H,7,9-13,15H2,(H,24,28)(H,29,30)/t18-/m0/s1