2-[carboxymethyl-[4-(decanoylamino)phenyl]carbonyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[carboxymethyl-[4-(decanoylamino)phenyl]carbonyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[carboxymethyl-[4-(decanoylamino)benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[carboxymethyl-[oxo-[4-(1-oxodecylamino)phenyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[carboxymethyl-[4-(decanoylamino)benzoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-(caprylamino)benzoyl]-(carboxymethyl)amino]-3-phenyl-propionic acid Formula: C28H36N2O6 MolecularWeight: 496.59524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)N(CC(=O)O)C(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)N(CC(=O)O)C(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C28H36N2O6/c1-2-3-4-5-6-7-11-14-25(31)29-23-17-15-22(16-18-23)27(34)30(20-26(32)33)24(28(35)36)19-21-12-9-8-10-13-21/h8-10,12-13,15-18,24H,2-7,11,14,19-20H2,1H3,(H,29,31)(H,32,33)(H,35,36)