2-[[(2S)-4-methyl-1-[[(1R)-1-phenylethyl]amino]pentan-2-yl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[(2S)-4-methyl-1-[[(1R)-1-phenylethyl]amino]pentan-2-yl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[(1S)-3-methyl-1-[[[(1R)-1-phenylethyl]amino]methyl]butyl]carbamoyl]benzenesulfonic acid CAS Name: 2-[[[(2S)-4-methyl-1-[[(1R)-1-phenylethyl]amino]pentan-2-yl]amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[(2S)-4-methyl-1-[[(1R)-1-phenylethyl]amino]pentan-2-yl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[(1S)-3-methyl-1-[[[(1R)-1-phenylethyl]amino]methyl]butyl]carbamoyl]besylic acid Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(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](CC(C)C)NC(=O)C2=CC=CC=C2S(=O)(=O)O

InChI

InChI=1S/C21H28N2O4S/c1-15(2)13-18(14-22-16(3)17-9-5-4-6-10-17)23-21(24)19-11-7-8-12-20(19)28(25,26)27/h4-12,15-16,18,22H,13-14H2,1-3H3,(H,23,24)(H,25,26,27)/t16-,18+/m1/s1