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

Systemtic Name: (2S)-2-azanyl-5-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-(4-cyclohexylphenyl)sulfonyl-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[4-(4-cyclohexylphenyl)sulfonylpiperazino]-5-keto-valeric acid Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCC(C(=O)O)N

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C21H31N3O5S/c22-19(21(26)27)10-11-20(25)23-12-14-24(15-13-23)30(28,29)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-9,16,19H,1-5,10-15,22H2,(H,26,27)/t19-/m0/s1