(1-propyl-1,2,3,4-tetrazol-5-yl)methyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (1-propyltetrazol-5-yl)methyl (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid (1-propyltetrazol-5-yl)methyl ester Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C(C(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H25N5O4/c1-4-10-23-15(20-21-22-23)12-26-17(24)16(13(2)3)19-18(25)27-11-14-8-6-5-7-9-14/h5-9,13,16H,4,10-12H2,1-3H3,(H,19,25)/t16-/m0/s1