(1-butyl-1,2,3,4-tetrazol-5-yl)methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: (1-butyltetrazol-5-yl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid (1-butyltetrazol-5-yl)methyl ester Formula: C19H27N5O3 MolecularWeight: 373.44938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C(C(C)C)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)[C@H](C(C)C)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H27N5O3/c1-4-5-11-24-16(21-22-23-24)13-27-19(26)18(14(2)3)20-17(25)12-15-9-7-6-8-10-15/h6-10,14,18H,4-5,11-13H2,1-3H3,(H,20,25)/t18-/m0/s1