2-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]-3-[1-[(phenylmethyl)carbamoyl]imidazol-4-yl]propanoic acid

Systemtic Name: 2-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]-3-[1-[(phenylmethyl)carbamoyl]imidazol-4-yl]propanoic acid Openeye Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-[1-(benzylcarbamoyl)imidazol-4-yl]propanoic acid CAS Name: 2-[(5-methyl-2-oxohexan-3-yl)amino]-3-[1-[oxo-[(phenylmethyl)amino]methyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-[1-(benzylcarbamoyl)imidazol-4-yl]-2-[(5-methyl-2-oxohexan-3-yl)amino]propanoic acid Traditional Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-[1-(benzylcarbamoyl)imidazol-4-yl]propionic acid Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C)NC(CC1=CN(C=N1)C(=O)NCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)C)NC(CC1=CN(C=N1)C(=O)NCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H28N4O4/c1-14(2)9-18(15(3)26)24-19(20(27)28)10-17-12-25(13-23-17)21(29)22-11-16-7-5-4-6-8-16/h4-8,12-14,18-19,24H,9-11H2,1-3H3,(H,22,29)(H,27,28)