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

Systemtic Name: 3-[[1-(3-bromophenyl)carbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl]carbonylamino]-3-(3-methylphenyl)propanoic acid Openeye Name: 3-[[1-(3-bromobenzoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-[[[1-[(3-bromophenyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl]-oxomethyl]amino]-3-(3-methylphenyl)propanoic acid IUPAC Name: 3-[[1-(3-bromobenzoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carbonyl]amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-[[1-(3-bromobenzoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propionic acid Formula: C26H26BrN3O6S2 MolecularWeight: 620.53514

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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)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2S(=O)(=O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C26H26BrN3O6S2/c1-17-6-2-7-18(14-17)21(16-22(31)32)28-24(33)25-29(26(34)19-8-3-9-20(27)15-19)11-5-12-30(25)38(35,36)23-10-4-13-37-23/h2-4,6-10,13-15,21,25H,5,11-12,16H2,1H3,(H,28,33)(H,31,32)