3-(3-methylphenyl)-3-[[1-methylsulfonyl-3-(phenylmethyl)sulfonyl-1,3-diazinan-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(3-methylphenyl)-3-[[1-methylsulfonyl-3-(phenylmethyl)sulfonyl-1,3-diazinan-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[(1-benzylsulfonyl-3-methylsulfonyl-hexahydropyrimidine-2-carbonyl)amino]-3-(m-tolyl)propanoic acid CAS Name: 3-(3-methylphenyl)-3-[[[1-methylsulfonyl-3-(phenylmethyl)sulfonyl-1,3-diazinan-2-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(1-benzylsulfonyl-3-methylsulfonyl-1,3-diazinane-2-carbonyl)amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-[(1-benzylsulfonyl-3-mesyl-hexahydropyrimidine-2-carbonyl)amino]-3-(m-tolyl)propionic acid Formula: C23H29N3O7S2 MolecularWeight: 523.62226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2S(=O)(=O)CC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2S(=O)(=O)CC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C23H29N3O7S2/c1-17-8-6-11-19(14-17)20(15-21(27)28)24-22(29)23-25(34(2,30)31)12-7-13-26(23)35(32,33)16-18-9-4-3-5-10-18/h3-6,8-11,14,20,23H,7,12-13,15-16H2,1-2H3,(H,24,29)(H,27,28)