methyl (2S)-2-[3-(1H-imidazol-5-yl)propoxycarbonylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[3-(1H-imidazol-5-yl)propoxycarbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[3-(1H-imidazol-5-yl)propoxycarbonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[3-(1H-imidazol-5-yl)propoxy-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(1H-imidazol-5-yl)propoxycarbonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[3-(1H-imidazol-5-yl)propoxycarbonylamino]-3-methyl-butyric acid methyl ester Formula: C13H21N3O4 MolecularWeight: 283.32354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)OCCCC1=CN=CN1

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)OCCCC1=CN=CN1

InChI

InChI=1S/C13H21N3O4/c1-9(2)11(12(17)19-3)16-13(18)20-6-4-5-10-7-14-8-15-10/h7-9,11H,4-6H2,1-3H3,(H,14,15)(H,16,18)/t11-/m0/s1