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

Systemtic Name: (2S)-2-azanyl-5-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-5-keto-valeric acid Formula: C17H23N3O7S MolecularWeight: 413.44542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(C(=O)O)N)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CN(CCN1C(=O)CC[C@@H](C(=O)O)N)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H23N3O7S/c18-13(17(22)23)2-4-16(21)19-5-7-20(8-6-19)28(24,25)12-1-3-14-15(11-12)27-10-9-26-14/h1,3,11,13H,2,4-10,18H2,(H,22,23)/t13-/m0/s1