methyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]amino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]amino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[1-oxopentyl-[[4-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[4-[2-(2-trityltetrazol-5-yl)phenyl]benzyl]-valeryl-amino]butyric acid methyl ester Formula: C44H45N5O3 MolecularWeight: 691.8598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN(N=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(C(C)C)C(=O)OC

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN(N=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)[C@@H](C(C)C)C(=O)OC

InChI

InChI=1S/C44H45N5O3/c1-5-6-26-40(50)48(41(32(2)3)43(51)52-4)31-33-27-29-34(30-28-33)38-24-16-17-25-39(38)42-45-47-49(46-42)44(35-18-10-7-11-19-35,36-20-12-8-13-21-36)37-22-14-9-15-23-37/h7-25,27-30,32,41H,5-6,26,31H2,1-4H3/t41-/m0/s1