(2S)-6-[2-[(4-methoxyphenyl)methyl-phenyl-amino]ethanoylamino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid

Systemtic Name: (2S)-6-[2-[(4-methoxyphenyl)methyl-phenyl-amino]ethanoylamino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid Openeye Name: (2S)-2-[isobutyl(p-tolylsulfonyl)amino]-6-[[2-[N-[(4-methoxyphenyl)methyl]anilino]acetyl]amino]hexanoic acid CAS Name: (2S)-6-[[2-[N-[(4-methoxyphenyl)methyl]anilino]-1-oxoethyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid IUPAC Name: (2S)-6-[[2-[N-[(4-methoxyphenyl)methyl]anilino]acetyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid Traditional Name: (2S)-2-[isobutyl(tosyl)amino]-6-[[2-(N-p-anisylanilino)acetyl]amino]hexanoic acid Formula: C33H43N3O6S MolecularWeight: 609.77602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCCNC(=O)CN(CC2=CC=C(C=C2)OC)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)CN(CC2=CC=C(C=C2)OC)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C33H43N3O6S/c1-25(2)22-36(43(40,41)30-19-13-26(3)14-20-30)31(33(38)39)12-8-9-21-34-32(37)24-35(28-10-6-5-7-11-28)23-27-15-17-29(42-4)18-16-27/h5-7,10-11,13-20,25,31H,8-9,12,21-24H2,1-4H3,(H,34,37)(H,38,39)/t31-/m0/s1