2-[[2-(9H-fluoren-9-ylmethylamino)-4-methyl-pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: 2-[[2-(9H-fluoren-9-ylmethylamino)-4-methyl-pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: 3-(4-benzyloxyphenyl)-2-[[2-(9H-fluoren-9-ylmethylamino)-4-methyl-pentanoyl]amino]propanoic acid CAS Name: 2-[[2-(9H-fluoren-9-ylmethylamino)-4-methyl-1-oxopentyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-[[2-(9H-fluoren-9-ylmethylamino)-4-methylpentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: 3-(4-benzoxyphenyl)-2-[[2-(9H-fluoren-9-ylmethylamino)-4-methyl-pentanoyl]amino]propionic acid Formula: C36H38N2O4 MolecularWeight: 562.69792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O)NCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O)NCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C36H38N2O4/c1-24(2)20-33(37-22-32-30-14-8-6-12-28(30)29-13-7-9-15-31(29)32)35(39)38-34(36(40)41)21-25-16-18-27(19-17-25)42-23-26-10-4-3-5-11-26/h3-19,24,32-34,37H,20-23H2,1-2H3,(H,38,39)(H,40,41)