(2S)-3-methyl-2-(N-{[2'-(2H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}butanamido)butanoic acid

CAS: 952652-79-8

Formula: C23H27N5O3

SMILES: CCCC(=O)N(CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NNN=N1)[C@@H](C(C)C)C(O)=O

IUPAC: (2S)-3-methyl-2-(N-{[2'-(2H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}butanamido)butanoic acid

InChI: InChI=1S/C23H27N5O3/c1-4-7-20(29)28(21(15(2)3)23(30)31)14-16-10-12-17(13-11-16)18-8-5-6-9-19(18)22-24-26-27-25-22/h5-6,8-13,15,21H,4,7,14H2,1-3H3,(H,30,31)(H,24,25,26,27)/t21-/m0/s1

Composition: C (65.54%), H (6.46%), N (16.62%), O (11.39%)

Molar Mass: 421.501

Atom Count: 58

Heavy Atom Count: 31