3-[[(2S)-3-carbazol-9-yl-2-oxidanyl-propyl]-(4-methylphenyl)sulfonyl-amino]propanoic acid

Systemtic Name: 3-[[(2S)-3-carbazol-9-yl-2-oxidanyl-propyl]-(4-methylphenyl)sulfonyl-amino]propanoic acid Openeye Name: 3-[[(2S)-3-carbazol-9-yl-2-hydroxy-propyl]-(p-tolylsulfonyl)amino]propanoic acid CAS Name: 3-[[(2S)-3-(9-carbazolyl)-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[[(2S)-3-carbazol-9-yl-2-hydroxy-propyl]-tosyl-amino]propionic acid Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)O)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)O)C[C@H](CN2C3=CC=CC=C3C4=CC=CC=C42)O

InChI

InChI=1S/C25H26N2O5S/c1-18-10-12-20(13-11-18)33(31,32)26(15-14-25(29)30)16-19(28)17-27-23-8-4-2-6-21(23)22-7-3-5-9-24(22)27/h2-13,19,28H,14-17H2,1H3,(H,29,30)/t19-/m1/s1