3-[[1-[2-(9H-fluoren-4-ylcarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[1-[2-(9H-fluoren-4-ylcarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-(9H-fluorene-4-carbonylamino)-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[9H-fluoren-4-yl(oxo)methyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-(9H-fluorene-4-carbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-(9H-fluorene-4-carbonylamino)-3-methyl-butanoyl]prolyl]amino]-4-keto-butyric acid Formula: C28H31N3O6 MolecularWeight: 505.56224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=C3C(=CC=C2)CC4=CC=CC=C43

Isomeric SMILES

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=C3C(=CC=C2)CC4=CC=CC=C43

InChI

InChI=1S/C28H31N3O6/c1-16(2)25(28(37)31-12-6-11-22(31)27(36)29-19(15-32)14-23(33)34)30-26(35)21-10-5-8-18-13-17-7-3-4-9-20(17)24(18)21/h3-5,7-10,15-16,19,22,25H,6,11-14H2,1-2H3,(H,29,36)(H,30,35)(H,33,34)