3-methyl-2-[2-[(1-phenyl-9H-fluoren-9-yl)-(phenylmethyl)amino]pent-4-enoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-[(1-phenyl-9H-fluoren-9-yl)-(phenylmethyl)amino]pent-4-enoylamino]butanoic acid Openeye Name: 2-[2-[benzyl-(1-phenyl-9H-fluoren-9-yl)amino]pent-4-enoylamino]-3-methyl-butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-[(1-phenyl-9H-fluoren-9-yl)-(phenylmethyl)amino]pent-4-enyl]amino]butanoic acid IUPAC Name: 2-[2-[benzyl-(1-phenyl-9H-fluoren-9-yl)amino]pent-4-enoylamino]-3-methylbutanoic acid Traditional Name: 2-[2-[benzyl-(1-phenyl-9H-fluoren-9-yl)amino]pent-4-enoylamino]-3-methyl-butyric acid Formula: C36H36N2O3 MolecularWeight: 544.68264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CC=C)N(CC1=CC=CC=C1)C2C3=CC=CC=C3C4=CC=CC(=C24)C5=CC=CC=C5

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(CC=C)N(CC1=CC=CC=C1)C2C3=CC=CC=C3C4=CC=CC(=C24)C5=CC=CC=C5

InChI

InChI=1S/C36H36N2O3/c1-4-14-31(35(39)37-33(24(2)3)36(40)41)38(23-25-15-7-5-8-16-25)34-30-20-12-11-19-28(30)29-22-13-21-27(32(29)34)26-17-9-6-10-18-26/h4-13,15-22,24,31,33-34H,1,14,23H2,2-3H3,(H,37,39)(H,40,41)