3-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]carbonylamino]phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]carbonylamino]phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]phenyl]sulfanyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[[4-[[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-oxomethyl]amino]phenyl]thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-[[4-(2-imidazolin-2-ylamino)benzoyl]amino]phenyl]thio]-3-(3-pyridyl)propionic acid Formula: C24H23N5O3S MolecularWeight: 461.53612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)SC(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1CN=C(N1)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)SC(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C24H23N5O3S/c30-22(31)14-21(17-2-1-11-25-15-17)33-20-9-7-18(8-10-20)28-23(32)16-3-5-19(6-4-16)29-24-26-12-13-27-24/h1-11,15,21H,12-14H2,(H,28,32)(H,30,31)(H2,26,27,29)