2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-3-(3-nitro-4-phenyl-phenyl)propanoic acid

Systemtic Name: 2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-3-(3-nitro-4-phenyl-phenyl)propanoic acid Openeye Name: 2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-3-(3-nitro-4-phenyl-phenyl)propanoic acid CAS Name: 2-[[[2-hydroxyethyl(phenethyl)amino]-oxomethyl]amino]-3-(3-nitro-4-phenylphenyl)propanoic acid IUPAC Name: 2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-3-(3-nitro-4-phenylphenyl)propanoic acid Traditional Name: 2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-3-(3-nitro-4-phenyl-phenyl)propionic acid Formula: C26H27N3O6 MolecularWeight: 477.50908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCO)C(=O)NC(CC2=CC(=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCO)C(=O)NC(CC2=CC(=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C26H27N3O6/c30-16-15-28(14-13-19-7-3-1-4-8-19)26(33)27-23(25(31)32)17-20-11-12-22(24(18-20)29(34)35)21-9-5-2-6-10-21/h1-12,18,23,30H,13-17H2,(H,27,33)(H,31,32)