2-[[(2-aminocarbonyl-5-methyl-hexyl)-(2-methylpropyl)carbamoyl]amino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[[(2-aminocarbonyl-5-methyl-hexyl)-(2-methylpropyl)carbamoyl]amino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[[(2-carbamoyl-5-methyl-hexyl)-isobutyl-carbamoyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[[(2-carbamoyl-5-methylhexyl)-(2-methylpropyl)amino]-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[[(2-carbamoyl-5-methylhexyl)-(2-methylpropyl)carbamoyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[[(2-carbamoyl-5-methyl-hexyl)-isobutyl-carbamoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C28H39N3O4 MolecularWeight: 481.62696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CN(CC(C)C)C(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O)C(=O)N

Isomeric SMILES

CC(C)CCC(CN(CC(C)C)C(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O)C(=O)N

InChI

InChI=1S/C28H39N3O4/c1-19(2)10-13-24(26(29)32)18-31(17-20(3)4)28(35)30-25(27(33)34)16-21-11-14-23(15-12-21)22-8-6-5-7-9-22/h5-9,11-12,14-15,19-20,24-25H,10,13,16-18H2,1-4H3,(H2,29,32)(H,30,35)(H,33,34)