(2S,4R)-2-methyl-4-[(2-oxidanylidene-2-phenylazanyl-ethyl)carbamoyl]-6-(4-propylphenyl)hexanoic acid

Systemtic Name: (2S,4R)-2-methyl-4-[(2-oxidanylidene-2-phenylazanyl-ethyl)carbamoyl]-6-(4-propylphenyl)hexanoic acid Openeye Name: (2S,4R)-4-[(2-anilino-2-oxo-ethyl)carbamoyl]-2-methyl-6-(4-propylphenyl)hexanoic acid CAS Name: (2S,4R)-4-[[(2-anilino-2-oxoethyl)amino]-oxomethyl]-2-methyl-6-(4-propylphenyl)hexanoic acid IUPAC Name: (2S,4R)-4-[(2-anilino-2-oxoethyl)carbamoyl]-2-methyl-6-(4-propylphenyl)hexanoic acid Traditional Name: (2S,4R)-4-[(2-anilino-2-keto-ethyl)carbamoyl]-2-methyl-6-(4-propylphenyl)hexanoic acid Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)CCC(CC(C)C(=O)O)C(=O)NCC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCC1=CC=C(C=C1)CC[C@H](C[C@H](C)C(=O)O)C(=O)NCC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C25H32N2O4/c1-3-7-19-10-12-20(13-11-19)14-15-21(16-18(2)25(30)31)24(29)26-17-23(28)27-22-8-5-4-6-9-22/h4-6,8-13,18,21H,3,7,14-17H2,1-2H3,(H,26,29)(H,27,28)(H,30,31)/t18-,21+/m0/s1