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

Systemtic Name: (2S)-2-azanyl-5-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-(1,3-benzodioxol-5-ylsulfonyl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazino]-5-keto-valeric acid Formula: C16H21N3O7S MolecularWeight: 399.41884

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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)OCO3

Isomeric SMILES

C1CN(CCN1C(=O)CC[C@@H](C(=O)O)N)S(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21N3O7S/c17-12(16(21)22)2-4-15(20)18-5-7-19(8-6-18)27(23,24)11-1-3-13-14(9-11)26-10-25-13/h1,3,9,12H,2,4-8,10,17H2,(H,21,22)/t12-/m0/s1