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

Systemtic Name: (2S)-2-azanyl-5-oxidanylidene-5-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pentanoic acid Openeye Name: (2S)-2-amino-5-oxo-5-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pentanoic acid CAS Name: (2S)-2-amino-5-oxo-5-[4-(2,4,5-trimethylphenyl)sulfonyl-1-piperazinyl]pentanoic acid IUPAC Name: (2S)-2-amino-5-oxo-5-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-[4-(2,4,5-trimethylphenyl)sulfonylpiperazino]valeric acid Formula: C18H27N3O5S MolecularWeight: 397.48908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(C(=O)O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)N)C

InChI

InChI=1S/C18H27N3O5S/c1-12-10-14(3)16(11-13(12)2)27(25,26)21-8-6-20(7-9-21)17(22)5-4-15(19)18(23)24/h10-11,15H,4-9,19H2,1-3H3,(H,23,24)/t15-/m0/s1