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

Systemtic Name: 3-[[1-methoxycarbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinan-2-yl]carbonylamino]-3-(3-methylphenyl)propanoic acid Openeye Name: 3-[(1-benzylsulfonyl-3-methoxycarbonyl-hexahydropyrimidine-2-carbonyl)amino]-3-(m-tolyl)propanoic acid CAS Name: 3-[[[1-methoxycarbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinan-2-yl]-oxomethyl]amino]-3-(3-methylphenyl)propanoic acid IUPAC Name: 3-[(1-benzylsulfonyl-3-methoxycarbonyl-1,3-diazinane-2-carbonyl)amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-[(1-benzylsulfonyl-3-carbomethoxy-hexahydropyrimidine-2-carbonyl)amino]-3-(m-tolyl)propionic acid Formula: C24H29N3O7S MolecularWeight: 503.56796

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O7S/c1-17-8-6-11-19(14-17)20(15-21(28)29)25-22(30)23-26(24(31)34-2)12-7-13-27(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,25,30)(H,28,29)