3-[[1-[3-(furan-2-ylmethylcarbamothioylamino)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[1-[3-(furan-2-ylmethylcarbamothioylamino)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[1-[3-(2-furylmethylcarbamothioylamino)phenyl]-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[1-[3-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[1-[3-(furan-2-ylmethylcarbamothioylamino)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[1-[3-(2-furfurylthiocarbamoylamino)phenyl]-5-keto-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C25H25N5O5S MolecularWeight: 507.5615

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC(=CC=C2)NC(=S)NCC3=CC=CO3)C(=O)NC(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1C(CN(C1=O)C2=CC(=CC=C2)NC(=S)NCC3=CC=CO3)C(=O)NC(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C25H25N5O5S/c31-22-10-17(24(34)29-21(12-23(32)33)16-4-2-8-26-13-16)15-30(22)19-6-1-5-18(11-19)28-25(36)27-14-20-7-3-9-35-20/h1-9,11,13,17,21H,10,12,14-15H2,(H,29,34)(H,32,33)(H2,27,28,36)