6-[[1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-sulfanyl-butan-2-yl]carbamoyl]pyridine-2-carboxylic acid

Systemtic Name: 6-[[1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-sulfanyl-butan-2-yl]carbamoyl]pyridine-2-carboxylic acid Openeye Name: 6-[[1-[[(1R)-1-benzyl-2-hydroxy-2-oxo-ethyl]carbamoyl]-3-sulfanyl-propyl]carbamoyl]pyridine-2-carboxylic acid CAS Name: 6-[[[1-[[(2R)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-4-mercapto-1-oxobutan-2-yl]amino]-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 6-[[1-[[(2R)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-4-sulfanylbutan-2-yl]carbamoyl]pyridine-2-carboxylic acid Traditional Name: 6-[[1-[[(1R)-1-benzyl-2-hydroxy-2-keto-ethyl]carbamoyl]-3-mercapto-propyl]carbamoyl]picolinic 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=NC(=CC=C2)C(=O)O

Isomeric SMILES

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

InChI

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