2-[[2-[2-(9H-fluoren-9-ylcarbonylamino)ethanoylamino]-3-methyl-butanoyl]amino]-6-methyl-benzoic acid

Systemtic Name: 2-[[2-[2-(9H-fluoren-9-ylcarbonylamino)ethanoylamino]-3-methyl-butanoyl]amino]-6-methyl-benzoic acid Openeye Name: 2-[[2-[[2-(9H-fluorene-9-carbonylamino)acetyl]amino]-3-methyl-butanoyl]amino]-6-methyl-benzoic acid CAS Name: 2-[[2-[[2-[[9H-fluoren-9-yl(oxo)methyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-6-methylbenzoic acid IUPAC Name: 2-[[2-[[2-(9H-fluorene-9-carbonylamino)acetyl]amino]-3-methylbutanoyl]amino]-6-methylbenzoic acid Traditional Name: 2-[[2-[[2-(9H-fluorene-9-carbonylamino)acetyl]amino]-3-methyl-butanoyl]amino]-6-methyl-benzoic acid Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(C(C)C)NC(=O)CNC(=O)C2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C(C(C)C)NC(=O)CNC(=O)C2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O

InChI

InChI=1S/C29H29N3O5/c1-16(2)26(28(35)31-22-14-8-9-17(3)24(22)29(36)37)32-23(33)15-30-27(34)25-20-12-6-4-10-18(20)19-11-5-7-13-21(19)25/h4-14,16,25-26H,15H2,1-3H3,(H,30,34)(H,31,35)(H,32,33)(H,36,37)