2-[[2-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 3-phenyl-2-[(2-tyrosyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]propionic acid Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C(CC3=CC=C(C=C3)O)N)C(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C(CC3=CC=C(C=C3)O)N)C(=O)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H29N3O5/c29-23(14-19-10-12-22(32)13-11-19)27(34)31-17-21-9-5-4-8-20(21)16-25(31)26(33)30-24(28(35)36)15-18-6-2-1-3-7-18/h1-13,23-25,32H,14-17,29H2,(H,30,33)(H,35,36)