2-[[(2S)-3-methyl-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[(2S)-3-methyl-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[(1S)-2-methyl-1-[[[(1R)-1-phenylethyl]amino]methyl]propyl]carbamoyl]benzenesulfonic acid CAS Name: 2-[[[(2S)-3-methyl-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[(2S)-3-methyl-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[(1S)-2-methyl-1-[[[(1R)-1-phenylethyl]amino]methyl]propyl]carbamoyl]besylic acid Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(C)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)O

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC[C@H](C(C)C)NC(=O)C2=CC=CC=C2S(=O)(=O)O

InChI

InChI=1S/C20H26N2O4S/c1-14(2)18(13-21-15(3)16-9-5-4-6-10-16)22-20(23)17-11-7-8-12-19(17)27(24,25)26/h4-12,14-15,18,21H,13H2,1-3H3,(H,22,23)(H,24,25,26)/t15-,18-/m1/s1