3-[2-[4-(pyridin-2-ylamino)butanoylamino]ethanoylamino]-3-(4-thiophen-3-ylphenyl)propanoic acid

Systemtic Name: 3-[2-[4-(pyridin-2-ylamino)butanoylamino]ethanoylamino]-3-(4-thiophen-3-ylphenyl)propanoic acid Openeye Name: 3-[[2-[4-(2-pyridylamino)butanoylamino]acetyl]amino]-3-[4-(3-thienyl)phenyl]propanoic acid CAS Name: 3-[[1-oxo-2-[[1-oxo-4-(2-pyridinylamino)butyl]amino]ethyl]amino]-3-[4-(3-thiophenyl)phenyl]propanoic acid IUPAC Name: 3-[[2-[4-(pyridin-2-ylamino)butanoylamino]acetyl]amino]-3-(4-thiophen-3-ylphenyl)propanoic acid Traditional Name: 3-[[2-[4-(2-pyridylamino)butanoylamino]acetyl]amino]-3-[4-(3-thienyl)phenyl]propionic acid Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NCCCC(=O)NCC(=O)NC(CC(=O)O)C2=CC=C(C=C2)C3=CSC=C3

Isomeric SMILES

C1=CC=NC(=C1)NCCCC(=O)NCC(=O)NC(CC(=O)O)C2=CC=C(C=C2)C3=CSC=C3

InChI

InChI=1S/C24H26N4O4S/c29-22(5-3-12-26-21-4-1-2-11-25-21)27-15-23(30)28-20(14-24(31)32)18-8-6-17(7-9-18)19-10-13-33-16-19/h1-2,4,6-11,13,16,20H,3,5,12,14-15H2,(H,25,26)(H,27,29)(H,28,30)(H,31,32)