3-(3-oxidanyl-4-phenyl-phenyl)-3-[2-[4-(pyridin-2-ylamino)butanoylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-(3-oxidanyl-4-phenyl-phenyl)-3-[2-[4-(pyridin-2-ylamino)butanoylamino]ethanoylamino]propanoic acid Openeye Name: 3-(3-hydroxy-4-phenyl-phenyl)-3-[[2-[4-(2-pyridylamino)butanoylamino]acetyl]amino]propanoic acid CAS Name: 3-(3-hydroxy-4-phenylphenyl)-3-[[1-oxo-2-[[1-oxo-4-(2-pyridinylamino)butyl]amino]ethyl]amino]propanoic acid IUPAC Name: 3-(3-hydroxy-4-phenylphenyl)-3-[[2-[4-(pyridin-2-ylamino)butanoylamino]acetyl]amino]propanoic acid Traditional Name: 3-(3-hydroxy-4-phenyl-phenyl)-3-[[2-[4-(2-pyridylamino)butanoylamino]acetyl]amino]propionic acid Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2)C(CC(=O)O)NC(=O)CNC(=O)CCCNC3=CC=CC=N3)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)C(CC(=O)O)NC(=O)CNC(=O)CCCNC3=CC=CC=N3)O

InChI

InChI=1S/C26H28N4O5/c31-22-15-19(11-12-20(22)18-7-2-1-3-8-18)21(16-26(34)35)30-25(33)17-29-24(32)10-6-14-28-23-9-4-5-13-27-23/h1-5,7-9,11-13,15,21,31H,6,10,14,16-17H2,(H,27,28)(H,29,32)(H,30,33)(H,34,35)