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

Systemtic Name: 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanoyl]amino]-6-methyl-benzoic acid Openeye Name: 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanoyl]amino]-6-methyl-benzoic acid CAS Name: 2-[[2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]-6-methylbenzoic acid IUPAC Name: 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]-6-methylbenzoic acid Traditional Name: 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanoyl]amino]-6-methyl-benzoic acid Formula: C28H28N2O5 MolecularWeight: 472.53232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(C(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C(C(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O

InChI

InChI=1S/C28H28N2O5/c1-16(2)25(26(31)29-23-14-8-9-17(3)24(23)27(32)33)30-28(34)35-15-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h4-14,16,22,25H,15H2,1-3H3,(H,29,31)(H,30,34)(H,32,33)