(2R)-4-methyl-2-[2-[5-(quinolin-8-ylsulfonylamino)indol-1-yl]ethanoylamino]pentanoic acid

Systemtic Name: (2R)-4-methyl-2-[2-[5-(quinolin-8-ylsulfonylamino)indol-1-yl]ethanoylamino]pentanoic acid Openeye Name: (2R)-4-methyl-2-[[2-[5-(8-quinolylsulfonylamino)indol-1-yl]acetyl]amino]pentanoic acid CAS Name: (2R)-4-methyl-2-[[1-oxo-2-[5-(8-quinolinylsulfonylamino)-1-indolyl]ethyl]amino]pentanoic acid IUPAC Name: (2R)-4-methyl-2-[[2-[5-(quinolin-8-ylsulfonylamino)indol-1-yl]acetyl]amino]pentanoic acid Traditional Name: (2R)-4-methyl-2-[[2-[5-(8-quinolylsulfonylamino)indol-1-yl]acetyl]amino]valeric acid Formula: C25H26N4O5S MolecularWeight: 494.56274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CN1C=CC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(C)C[C@H](C(=O)O)NC(=O)CN1C=CC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C25H26N4O5S/c1-16(2)13-20(25(31)32)27-23(30)15-29-12-10-18-14-19(8-9-21(18)29)28-35(33,34)22-7-3-5-17-6-4-11-26-24(17)22/h3-12,14,16,20,28H,13,15H2,1-2H3,(H,27,30)(H,31,32)/t20-/m1/s1