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

Systemtic Name: 3-(3-methylphenyl)-3-[[1-phenylmethoxycarbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinan-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[(1-benzyloxycarbonyl-3-benzylsulfonyl-hexahydropyrimidine-2-carbonyl)amino]-3-(m-tolyl)propanoic acid CAS Name: 3-(3-methylphenyl)-3-[[oxo-[1-phenylmethoxycarbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinan-2-yl]methyl]amino]propanoic acid IUPAC Name: 3-[(1-benzylsulfonyl-3-phenylmethoxycarbonyl-1,3-diazinane-2-carbonyl)amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-[(1-benzylsulfonyl-3-carbobenzoxy-hexahydropyrimidine-2-carbonyl)amino]-3-(m-tolyl)propionic acid Formula: C30H33N3O7S MolecularWeight: 579.66392

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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)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2S(=O)(=O)CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H33N3O7S/c1-22-10-8-15-25(18-22)26(19-27(34)35)31-28(36)29-32(30(37)40-20-23-11-4-2-5-12-23)16-9-17-33(29)41(38,39)21-24-13-6-3-7-14-24/h2-8,10-15,18,26,29H,9,16-17,19-21H2,1H3,(H,31,36)(H,34,35)