(2S)-4-acetamido-2-[[5-butyl-1-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]methylamino]butanoic acid

Systemtic Name: (2S)-4-acetamido-2-[[5-butyl-1-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]methylamino]butanoic acid Openeye Name: (2S)-4-acetamido-2-[[5-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]methylamino]butanoic acid CAS Name: (2S)-4-acetamido-2-[[5-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]methylamino]butanoic acid IUPAC Name: (2S)-4-acetamido-2-[[5-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]methylamino]butanoic acid Traditional Name: (2S)-4-acetamido-2-[[5-butyl-1-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazol-3-yl]methylamino]butyric acid Formula: C27H33N9O3 MolecularWeight: 531.60942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CNC(CCNC(=O)C)C(=O)O

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CN[C@@H](CCNC(=O)C)C(=O)O

InChI

InChI=1S/C27H33N9O3/c1-3-4-9-25-30-24(16-29-23(27(38)39)14-15-28-18(2)37)33-36(25)17-19-10-12-20(13-11-19)21-7-5-6-8-22(21)26-31-34-35-32-26/h5-8,10-13,23,29H,3-4,9,14-17H2,1-2H3,(H,28,37)(H,38,39)(H,31,32,34,35)/t23-/m0/s1