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

Systemtic Name: 3-[(1-methoxycarbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl)carbonylamino]-3-(3-methylphenyl)propanoic acid Openeye Name: 3-[[1-methoxycarbonyl-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-[[(1-methoxycarbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl)-oxomethyl]amino]-3-(3-methylphenyl)propanoic acid IUPAC Name: 3-[(1-methoxycarbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carbonyl)amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-[[1-carbomethoxy-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propionic acid Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2S(=O)(=O)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2S(=O)(=O)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C21H25N3O7S2/c1-14-6-3-7-15(12-14)16(13-17(25)26)22-19(27)20-23(21(28)31-2)9-5-10-24(20)33(29,30)18-8-4-11-32-18/h3-4,6-8,11-12,16,20H,5,9-10,13H2,1-2H3,(H,22,27)(H,25,26)