2-[2-[methylsulfonyl-(phenylmethyl)amino]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[methylsulfonyl-(phenylmethyl)amino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[benzyl(methylsulfonyl)amino]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[methylsulfonyl-(phenylmethyl)amino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[benzyl(methylsulfonyl)amino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[benzyl(mesyl)amino]acetyl]amino]-3-phenyl-propionic acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=CC=C1)CC(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=CC=C1)CC(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H22N2O5S/c1-27(25,26)21(13-16-10-6-3-7-11-16)14-18(22)20-17(19(23)24)12-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H,20,22)(H,23,24)