methyl 2-(3-imidazol-1-ylhexanoylamino)-3-oxidanyl-propanoate

Systemtic Name: methyl 2-(3-imidazol-1-ylhexanoylamino)-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-(3-imidazol-1-ylhexanoylamino)propanoate CAS Name: 3-hydroxy-2-[[3-(1-imidazolyl)-1-oxohexyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-(3-imidazol-1-ylhexanoylamino)propanoate Traditional Name: 3-hydroxy-2-(3-imidazol-1-ylhexanoylamino)propionic acid methyl ester Formula: C13H21N3O4 MolecularWeight: 283.32354

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)NC(CO)C(=O)OC)N1C=CN=C1

Isomeric SMILES

CCCC(CC(=O)NC(CO)C(=O)OC)N1C=CN=C1

InChI

InChI=1S/C13H21N3O4/c1-3-4-10(16-6-5-14-9-16)7-12(18)15-11(8-17)13(19)20-2/h5-6,9-11,17H,3-4,7-8H2,1-2H3,(H,15,18)