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

Systemtic Name: (2S)-2-azanyl-5-oxidanylidene-5-[4-[4-(phenylmethyl)phenyl]sulfonylpiperazin-1-yl]pentanoic acid Openeye Name: (2S)-2-amino-5-[4-(4-benzylphenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-oxo-5-[4-[4-(phenylmethyl)phenyl]sulfonyl-1-piperazinyl]pentanoic acid IUPAC Name: (2S)-2-amino-5-[4-(4-benzylphenyl)sulfonylpiperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[4-(4-benzylphenyl)sulfonylpiperazino]-5-keto-valeric acid Formula: C22H27N3O5S MolecularWeight: 445.53188

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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)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CC[C@@H](C(=O)O)N)S(=O)(=O)C2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O5S/c23-20(22(27)28)10-11-21(26)24-12-14-25(15-13-24)31(29,30)19-8-6-18(7-9-19)16-17-4-2-1-3-5-17/h1-9,20H,10-16,23H2,(H,27,28)/t20-/m0/s1