2-(aminocarbonylamino)-4-[3-methylbutyl(phenyl)amino]-4-oxidanylidene-2-phenyl-butanoic acid

Systemtic Name: 2-(aminocarbonylamino)-4-[3-methylbutyl(phenyl)amino]-4-oxidanylidene-2-phenyl-butanoic acid Openeye Name: 4-(N-isopentylanilino)-4-oxo-2-phenyl-2-ureido-butanoic acid CAS Name: 2-(carbamoylamino)-4-[N-(3-methylbutyl)anilino]-4-oxo-2-phenylbutanoic acid IUPAC Name: 2-(carbamoylamino)-4-[N-(3-methylbutyl)anilino]-4-oxo-2-phenylbutanoic acid Traditional Name: 4-(N-isoamylanilino)-4-keto-2-phenyl-2-ureido-butyric acid Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1=CC=CC=C1)C(=O)CC(C2=CC=CC=C2)(C(=O)O)NC(=O)N

Isomeric SMILES

CC(C)CCN(C1=CC=CC=C1)C(=O)CC(C2=CC=CC=C2)(C(=O)O)NC(=O)N

InChI

InChI=1S/C22H27N3O4/c1-16(2)13-14-25(18-11-7-4-8-12-18)19(26)15-22(20(27)28,24-21(23)29)17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3,(H,27,28)(H3,23,24,29)