3-(3-methylphenyl)-3-[[1-[(3-methylphenyl)carbamoyl]-3-[(4-propan-2-ylphenyl)carbamoyl]-1,3-diazinan-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(3-methylphenyl)-3-[[1-[(3-methylphenyl)carbamoyl]-3-[(4-propan-2-ylphenyl)carbamoyl]-1,3-diazinan-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-[(4-isopropylphenyl)carbamoyl]-3-(m-tolylcarbamoyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-[[[1-[(3-methylanilino)-oxomethyl]-3-[oxo-(4-propan-2-ylanilino)methyl]-1,3-diazinan-2-yl]-oxomethyl]amino]-3-(3-methylphenyl)propanoic acid IUPAC Name: 3-(3-methylphenyl)-3-[[1-[(3-methylphenyl)carbamoyl]-3-[(4-propan-2-ylphenyl)carbamoyl]-1,3-diazinane-2-carbonyl]amino]propanoic acid Traditional Name: 3-(m-tolyl)-3-[[1-(m-tolylcarbamoyl)-3-(p-cumenylcarbamoyl)hexahydropyrimidine-2-carbonyl]amino]propionic acid Formula: C33H39N5O5 MolecularWeight: 585.69326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2C(=O)NC3=CC=CC(=C3)C)C(=O)NC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2C(=O)NC3=CC=CC(=C3)C)C(=O)NC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C33H39N5O5/c1-21(2)24-12-14-26(15-13-24)34-32(42)37-16-7-17-38(33(43)35-27-11-6-9-23(4)19-27)31(37)30(41)36-28(20-29(39)40)25-10-5-8-22(3)18-25/h5-6,8-15,18-19,21,28,31H,7,16-17,20H2,1-4H3,(H,34,42)(H,35,43)(H,36,41)(H,39,40)