2-[aminocarbonyl-(phenylmethyl)amino]-3-pyridin-4-yl-propanoic acid

Systemtic Name: 2-[aminocarbonyl-(phenylmethyl)amino]-3-pyridin-4-yl-propanoic acid Openeye Name: 2-[benzyl(carbamoyl)amino]-3-(4-pyridyl)propanoic acid CAS Name: 2-[carbamoyl-(phenylmethyl)amino]-3-pyridin-4-ylpropanoic acid IUPAC Name: 2-[benzyl(carbamoyl)amino]-3-pyridin-4-ylpropanoic acid Traditional Name: 2-[benzyl(carbamoyl)amino]-3-(4-pyridyl)propionic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C(CC2=CC=NC=C2)C(=O)O)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN(C(CC2=CC=NC=C2)C(=O)O)C(=O)N

InChI

InChI=1S/C16H17N3O3/c17-16(22)19(11-13-4-2-1-3-5-13)14(15(20)21)10-12-6-8-18-9-7-12/h1-9,14H,10-11H2,(H2,17,22)(H,20,21)