2-[[1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-sulfanyl-butan-2-yl]carbamoyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[[1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-sulfanyl-butan-2-yl]carbamoyl]pyridine-3-carboxylic acid Openeye Name: 2-[[1-[[(1R)-1-benzyl-2-hydroxy-2-oxo-ethyl]carbamoyl]-3-sulfanyl-propyl]carbamoyl]pyridine-3-carboxylic acid CAS Name: 2-[[[1-[[(2R)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-4-mercapto-1-oxobutan-2-yl]amino]-oxomethyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[[1-[[(2R)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-4-sulfanylbutan-2-yl]carbamoyl]pyridine-3-carboxylic acid Traditional Name: 2-[[1-[[(1R)-1-benzyl-2-hydroxy-2-keto-ethyl]carbamoyl]-3-mercapto-propyl]carbamoyl]nicotinic acid Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CCS)NC(=O)C2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C(CCS)NC(=O)C2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C20H21N3O6S/c24-17(23-15(20(28)29)11-12-5-2-1-3-6-12)14(8-10-30)22-18(25)16-13(19(26)27)7-4-9-21-16/h1-7,9,14-15,30H,8,10-11H2,(H,22,25)(H,23,24)(H,26,27)(H,28,29)/t14?,15-/m1/s1