(2S)-2-azanyl-5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-(4-brosylpiperazino)-5-keto-valeric acid Formula: C15H20BrN3O5S MolecularWeight: 434.3054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(C(=O)O)N)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrN3O5S/c16-11-1-3-12(4-2-11)25(23,24)19-9-7-18(8-10-19)14(20)6-5-13(17)15(21)22/h1-4,13H,5-10,17H2,(H,21,22)/t13-/m0/s1