3-[3-(2-azanyl-3-methyl-pentanoyl)-4-oxidanyl-phenyl]-2-benzamido-propanoic acid

Systemtic Name: 3-[3-(2-azanyl-3-methyl-pentanoyl)-4-oxidanyl-phenyl]-2-benzamido-propanoic acid Openeye Name: 3-[3-(2-amino-3-methyl-pentanoyl)-4-hydroxy-phenyl]-2-benzamido-propanoic acid CAS Name: 3-[3-(2-amino-3-methyl-1-oxopentyl)-4-hydroxyphenyl]-2-benzamidopropanoic acid IUPAC Name: 3-[3-(2-amino-3-methylpentanoyl)-4-hydroxyphenyl]-2-benzamidopropanoic acid Traditional Name: 3-[3-(2-amino-3-methyl-pentanoyl)-4-hydroxy-phenyl]-2-benzamido-propionic acid Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2)O)N

Isomeric SMILES

CCC(C)C(C(=O)C1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2)O)N

InChI

InChI=1S/C22H26N2O5/c1-3-13(2)19(23)20(26)16-11-14(9-10-18(16)25)12-17(22(28)29)24-21(27)15-7-5-4-6-8-15/h4-11,13,17,19,25H,3,12,23H2,1-2H3,(H,24,27)(H,28,29)