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

Systemtic Name: (2S)-2-azanyl-5-oxidanylidene-5-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pentanoic acid Openeye Name: (2S)-2-amino-5-oxo-5-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pentanoic acid CAS Name: (2S)-2-amino-5-oxo-5-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]pentanoic acid IUPAC Name: (2S)-2-amino-5-oxo-5-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-[4-(4-phenoxyphenyl)sulfonylpiperazino]valeric acid Formula: C21H25N3O6S MolecularWeight: 447.5047

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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)OC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CC[C@@H](C(=O)O)N)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O6S/c22-19(21(26)27)10-11-20(25)23-12-14-24(15-13-23)31(28,29)18-8-6-17(7-9-18)30-16-4-2-1-3-5-16/h1-9,19H,10-15,22H2,(H,26,27)/t19-/m0/s1