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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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