2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-(3,4-diacetyloxyphenyl)propanoic acid

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-(3,4-diacetyloxyphenyl)propanoic acid Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)amino]-3-(3,4-diacetoxyphenyl)propanoic acid CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-(3,4-diacetyloxyphenyl)propanoic acid IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)amino]-3-(3,4-diacetyloxyphenyl)propanoic acid Traditional Name: 3-(3,4-diacetoxyphenyl)-2-(phenylalanylamino)propionic acid Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)CC(C(=O)O)NC(=O)C(CC2=CC=CC=C2)N)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)CC(C(=O)O)NC(=O)C(CC2=CC=CC=C2)N)OC(=O)C

InChI

InChI=1S/C22H24N2O7/c1-13(25)30-19-9-8-16(12-20(19)31-14(2)26)11-18(22(28)29)24-21(27)17(23)10-15-6-4-3-5-7-15/h3-9,12,17-18H,10-11,23H2,1-2H3,(H,24,27)(H,28,29)