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

Systemtic Name: 2-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanoic acid Openeye Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-[3-(benzyloxymethyl)imidazol-4-yl]propanoic acid CAS Name: 2-[(5-methyl-2-oxohexan-3-yl)amino]-3-[3-(phenylmethoxymethyl)-4-imidazolyl]propanoic acid IUPAC Name: 2-[(5-methyl-2-oxohexan-3-yl)amino]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanoic acid Traditional Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-[3-(benzoxymethyl)imidazol-4-yl]propionic acid Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C)NC(CC1=CN=CN1COCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)C)NC(CC1=CN=CN1COCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H29N3O4/c1-15(2)9-19(16(3)25)23-20(21(26)27)10-18-11-22-13-24(18)14-28-12-17-7-5-4-6-8-17/h4-8,11,13,15,19-20,23H,9-10,12,14H2,1-3H3,(H,26,27)