2-[(2-azanyl-4-methyl-pentanoyl)-ethanoyl-amino]-3-(3,4-dimethoxyphenyl)propanoic acid

Systemtic Name: 2-[(2-azanyl-4-methyl-pentanoyl)-ethanoyl-amino]-3-(3,4-dimethoxyphenyl)propanoic acid Openeye Name: 2-[acetyl-(2-amino-4-methyl-pentanoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid CAS Name: 2-[acetyl-(2-amino-4-methyl-1-oxopentyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid IUPAC Name: 2-[acetyl-(2-amino-4-methylpentanoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid Traditional Name: 2-[acetyl-(2-amino-4-methyl-pentanoyl)amino]-3-(3,4-dimethoxyphenyl)propionic acid Formula: C19H28N2O6 MolecularWeight: 380.43542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C(CC1=CC(=C(C=C1)OC)OC)C(=O)O)C(=O)C)N

Isomeric SMILES

CC(C)CC(C(=O)N(C(CC1=CC(=C(C=C1)OC)OC)C(=O)O)C(=O)C)N

InChI

InChI=1S/C19H28N2O6/c1-11(2)8-14(20)18(23)21(12(3)22)15(19(24)25)9-13-6-7-16(26-4)17(10-13)27-5/h6-7,10-11,14-15H,8-9,20H2,1-5H3,(H,24,25)